USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 891 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= -0.18 USER MOD Set 2.1: A 73 LYS NZ :NH3+ 148:sc= 0.554 (180deg=0) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 0.304 F(o=-1.9,f=0.8) USER MOD Set 2.3: A 75 ASN : amide:sc= -0.0625 K(o=0.8,f=-0.53) USER MOD Set 3.1: A 70 TYR OH : rot 132:sc= -0.282 USER MOD Set 3.2: A 71 ASN : amide:sc= -9.81! C(o=-10!,f=-16!) USER MOD Set 4.1: A 53 ASN : amide:sc= -4.1 K(o=-3.9,f=-6.8!) USER MOD Set 4.2: A 55 ASN : amide:sc= 0.21 X(o=-3.9,f=-4.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00104) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.76 F(o=-1.3,f=-0.76) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00428 X(o=-0.0043,f=-0.014) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.586 (180deg=-0.684) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.82 F(o=-2.5,f=-1.8) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0495) USER MOD Single : A 89 GLN : amide:sc= -6.36! C(o=-6.4!,f=-12!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 143:sc= -2.09 (180deg=-5.06!) USER MOD Single : A 95 MET CE :methyl -162:sc= -5.61! (180deg=-6.1!) USER MOD Single : A 96 HIS : no HD1:sc= -3.02 K(o=-3,f=-4.6!) USER MOD Single : A 97 TYR OH : rot -27:sc= 0.917 USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 103 ASN : amide:sc= -0.564 K(o=-0.56,f=-6.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 176:sc= -0.651 (180deg=-0.713) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -9.72! C(o=-9.7!,f=-21!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0725 F(o=-0.75,f=-0.072) USER MOD Single : A 125 GLN : amide:sc= -1 K(o=-1,f=-3.7!) USER MOD Single : A 127 GLN : amide:sc= -8.91! C(o=-8.9!,f=-15!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 6.461 8.402 11.583 1.00 0.00 N ATOM 75 CA PRO A 6 5.241 8.265 12.382 1.00 0.00 C ATOM 76 C PRO A 6 4.556 9.605 12.629 1.00 0.00 C ATOM 77 O PRO A 6 5.177 10.550 13.116 1.00 0.00 O ATOM 78 CB PRO A 6 5.749 7.674 13.695 1.00 0.00 C ATOM 79 CG PRO A 6 7.148 8.170 13.813 1.00 0.00 C ATOM 80 CD PRO A 6 7.679 8.263 12.406 1.00 0.00 C ATOM 0 HA PRO A 6 4.490 7.652 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.140 8.000 14.538 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.714 6.585 13.679 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.177 9.142 14.305 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.753 7.491 14.414 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.345 9.118 12.284 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.248 7.374 12.133 1.00 0.00 H new ATOM 88 N LYS A 7 3.272 9.680 12.291 1.00 0.00 N ATOM 89 CA LYS A 7 2.502 10.904 12.477 1.00 0.00 C ATOM 90 C LYS A 7 3.080 12.044 11.644 1.00 0.00 C ATOM 91 O LYS A 7 4.217 12.465 11.853 1.00 0.00 O ATOM 92 CB LYS A 7 2.479 11.299 13.955 1.00 0.00 C ATOM 93 CG LYS A 7 1.162 11.914 14.401 1.00 0.00 C ATOM 94 CD LYS A 7 0.991 11.833 15.909 1.00 0.00 C ATOM 95 CE LYS A 7 -0.454 12.065 16.319 1.00 0.00 C ATOM 96 NZ LYS A 7 -0.702 11.663 17.731 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.743 8.907 11.887 1.00 0.00 H new ATOM 0 HA LYS A 7 1.482 10.714 12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.682 10.416 14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.284 12.008 14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.121 12.956 14.085 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.335 11.399 13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.318 10.855 16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.630 12.574 16.389 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.702 13.119 16.193 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.114 11.501 15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.699 11.837 17.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.489 10.652 17.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.091 12.219 18.363 1.00 0.00 H new ATOM 110 N LYS A 8 2.287 12.539 10.699 1.00 0.00 N ATOM 111 CA LYS A 8 2.719 13.630 9.833 1.00 0.00 C ATOM 112 C LYS A 8 1.596 14.051 8.887 1.00 0.00 C ATOM 113 O LYS A 8 0.600 13.342 8.740 1.00 0.00 O ATOM 114 CB LYS A 8 3.953 13.213 9.029 1.00 0.00 C ATOM 115 CG LYS A 8 5.250 13.812 9.551 1.00 0.00 C ATOM 116 CD LYS A 8 6.403 12.828 9.439 1.00 0.00 C ATOM 117 CE LYS A 8 7.744 13.518 9.629 1.00 0.00 C ATOM 118 NZ LYS A 8 7.903 14.053 11.009 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.342 12.202 10.514 1.00 0.00 H new ATOM 0 HA LYS A 8 2.977 14.482 10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.034 12.126 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.817 13.511 7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.486 14.716 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.122 14.107 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.287 12.043 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.377 12.344 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.548 12.813 9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.838 14.333 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.837 14.501 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.161 14.757 11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.822 13.275 11.694 1.00 0.00 H new ATOM 132 N PRO A 9 1.743 15.214 8.230 1.00 0.00 N ATOM 133 CA PRO A 9 0.735 15.725 7.294 1.00 0.00 C ATOM 134 C PRO A 9 0.623 14.864 6.041 1.00 0.00 C ATOM 135 O PRO A 9 1.616 14.610 5.359 1.00 0.00 O ATOM 136 CB PRO A 9 1.249 17.123 6.939 1.00 0.00 C ATOM 137 CG PRO A 9 2.716 17.065 7.191 1.00 0.00 C ATOM 138 CD PRO A 9 2.900 16.121 8.345 1.00 0.00 C ATOM 0 HA PRO A 9 -0.263 15.725 7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.036 17.370 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.772 17.887 7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.250 16.712 6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.111 18.053 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.844 15.580 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.904 16.648 9.299 1.00 0.00 H new ATOM 146 N VAL A 10 -0.593 14.416 5.744 1.00 0.00 N ATOM 147 CA VAL A 10 -0.833 13.582 4.573 1.00 0.00 C ATOM 148 C VAL A 10 -1.245 14.428 3.368 1.00 0.00 C ATOM 149 O VAL A 10 -1.756 15.537 3.523 1.00 0.00 O ATOM 150 CB VAL A 10 -1.919 12.519 4.853 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.642 11.810 6.170 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.306 13.146 4.863 1.00 0.00 C ATOM 0 H VAL A 10 -1.426 14.617 6.298 1.00 0.00 H new ATOM 0 HA VAL A 10 0.104 13.074 4.345 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.888 11.783 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.416 11.065 6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.670 11.319 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.641 12.538 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.052 12.376 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.355 13.909 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.506 13.603 3.894 1.00 0.00 H new ATOM 162 N PRO A 11 -1.026 13.911 2.147 1.00 0.00 N ATOM 163 CA PRO A 11 -1.376 14.620 0.914 1.00 0.00 C ATOM 164 C PRO A 11 -2.876 14.603 0.640 1.00 0.00 C ATOM 165 O PRO A 11 -3.670 14.235 1.505 1.00 0.00 O ATOM 166 CB PRO A 11 -0.627 13.835 -0.162 1.00 0.00 C ATOM 167 CG PRO A 11 -0.534 12.451 0.381 1.00 0.00 C ATOM 168 CD PRO A 11 -0.421 12.594 1.876 1.00 0.00 C ATOM 0 HA PRO A 11 -1.110 15.676 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.162 13.854 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.361 14.257 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.414 11.867 0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.332 11.930 -0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.950 11.795 2.396 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.617 12.555 2.205 1.00 0.00 H new ATOM 176 N ALA A 12 -3.256 15.002 -0.569 1.00 0.00 N ATOM 177 CA ALA A 12 -4.661 15.031 -0.957 1.00 0.00 C ATOM 178 C ALA A 12 -4.864 14.400 -2.330 1.00 0.00 C ATOM 179 O ALA A 12 -4.307 14.863 -3.326 1.00 0.00 O ATOM 180 CB ALA A 12 -5.181 16.461 -0.950 1.00 0.00 C ATOM 0 H ALA A 12 -2.611 15.310 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.225 14.447 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.231 16.468 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.080 16.880 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.605 17.061 -1.654 1.00 0.00 H new ATOM 186 N ALA A 13 -5.664 13.340 -2.376 1.00 0.00 N ATOM 187 CA ALA A 13 -5.940 12.645 -3.628 1.00 0.00 C ATOM 188 C ALA A 13 -6.973 11.541 -3.427 1.00 0.00 C ATOM 189 O ALA A 13 -7.190 11.076 -2.308 1.00 0.00 O ATOM 190 CB ALA A 13 -4.656 12.069 -4.205 1.00 0.00 C ATOM 0 H ALA A 13 -6.132 12.944 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.351 13.367 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.876 11.553 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.948 12.876 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.222 11.365 -3.495 1.00 0.00 H new ATOM 196 N GLU A 14 -7.609 11.127 -4.519 1.00 0.00 N ATOM 197 CA GLU A 14 -8.620 10.078 -4.463 1.00 0.00 C ATOM 198 C GLU A 14 -9.141 9.750 -5.859 1.00 0.00 C ATOM 199 O GLU A 14 -10.139 10.313 -6.308 1.00 0.00 O ATOM 200 CB GLU A 14 -9.780 10.504 -3.561 1.00 0.00 C ATOM 201 CG GLU A 14 -10.860 9.445 -3.417 1.00 0.00 C ATOM 202 CD GLU A 14 -12.000 9.638 -4.397 1.00 0.00 C ATOM 203 OE1 GLU A 14 -12.653 10.702 -4.346 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -12.240 8.726 -5.216 1.00 0.00 O ATOM 0 H GLU A 14 -7.442 11.502 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.156 9.184 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.390 10.750 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.226 11.414 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.420 8.459 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.252 9.467 -2.400 1.00 0.00 H new ATOM 211 N GLU A 15 -8.459 8.835 -6.540 1.00 0.00 N ATOM 212 CA GLU A 15 -8.853 8.432 -7.885 1.00 0.00 C ATOM 213 C GLU A 15 -7.956 7.313 -8.403 1.00 0.00 C ATOM 214 O GLU A 15 -7.006 6.904 -7.734 1.00 0.00 O ATOM 215 CB GLU A 15 -8.796 9.629 -8.836 1.00 0.00 C ATOM 216 CG GLU A 15 -9.879 9.611 -9.902 1.00 0.00 C ATOM 217 CD GLU A 15 -10.326 11.004 -10.301 1.00 0.00 C ATOM 218 OE1 GLU A 15 -9.692 11.596 -11.199 1.00 0.00 O ATOM 219 OE2 GLU A 15 -11.311 11.502 -9.716 1.00 0.00 O1- ATOM 0 H GLU A 15 -7.631 8.359 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.877 8.061 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.884 10.548 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.820 9.651 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.509 9.086 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.737 9.049 -9.534 1.00 0.00 H new ATOM 226 N ALA A 16 -8.263 6.821 -9.599 1.00 0.00 N ATOM 227 CA ALA A 16 -7.485 5.749 -10.208 1.00 0.00 C ATOM 228 C ALA A 16 -7.153 6.070 -11.663 1.00 0.00 C ATOM 229 O ALA A 16 -7.769 6.946 -12.270 1.00 0.00 O ATOM 230 CB ALA A 16 -8.240 4.431 -10.114 1.00 0.00 C ATOM 0 H ALA A 16 -9.046 7.148 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.547 5.657 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.648 3.639 -10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.421 4.189 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.193 4.520 -10.635 1.00 0.00 H new ATOM 236 N PRO A 17 -6.170 5.360 -12.244 1.00 0.00 N ATOM 237 CA PRO A 17 -5.759 5.575 -13.635 1.00 0.00 C ATOM 238 C PRO A 17 -6.798 5.068 -14.630 1.00 0.00 C ATOM 239 O PRO A 17 -7.670 4.272 -14.282 1.00 0.00 O ATOM 240 CB PRO A 17 -4.468 4.764 -13.751 1.00 0.00 C ATOM 241 CG PRO A 17 -4.601 3.692 -12.726 1.00 0.00 C ATOM 242 CD PRO A 17 -5.384 4.296 -11.592 1.00 0.00 C ATOM 0 HA PRO A 17 -5.636 6.633 -13.866 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.353 4.344 -14.750 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.592 5.385 -13.563 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.115 2.823 -13.135 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.622 3.353 -12.387 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.027 3.559 -11.111 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.727 4.698 -10.820 1.00 0.00 H new ATOM 499 N GLU A 36 -9.714 -2.186 -6.356 1.00 0.00 N ATOM 500 CA GLU A 36 -8.807 -2.596 -5.290 1.00 0.00 C ATOM 501 C GLU A 36 -9.311 -2.118 -3.930 1.00 0.00 C ATOM 502 O GLU A 36 -8.874 -1.084 -3.425 1.00 0.00 O ATOM 503 CB GLU A 36 -7.402 -2.046 -5.548 1.00 0.00 C ATOM 504 CG GLU A 36 -6.731 -2.642 -6.775 1.00 0.00 C ATOM 505 CD GLU A 36 -6.710 -4.158 -6.750 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.775 -4.771 -6.975 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -5.628 -4.733 -6.505 1.00 0.00 O ATOM 0 HA GLU A 36 -8.768 -3.685 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.460 -0.964 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.779 -2.238 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.253 -2.304 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.709 -2.269 -6.843 1.00 0.00 H new ATOM 514 N PRO A 37 -10.245 -2.868 -3.318 1.00 0.00 N ATOM 515 CA PRO A 37 -10.810 -2.516 -2.011 1.00 0.00 C ATOM 516 C PRO A 37 -9.738 -2.372 -0.936 1.00 0.00 C ATOM 517 O PRO A 37 -8.556 -2.214 -1.240 1.00 0.00 O ATOM 518 CB PRO A 37 -11.735 -3.694 -1.686 1.00 0.00 C ATOM 519 CG PRO A 37 -12.046 -4.313 -3.005 1.00 0.00 C ATOM 520 CD PRO A 37 -10.822 -4.114 -3.852 1.00 0.00 C ATOM 0 HA PRO A 37 -11.320 -1.553 -2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.248 -4.407 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.642 -3.357 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.276 -5.373 -2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.917 -3.843 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.129 -4.950 -3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.074 -4.021 -4.909 1.00 0.00 H new ATOM 528 N ARG A 38 -10.159 -2.429 0.324 1.00 0.00 N ATOM 529 CA ARG A 38 -9.235 -2.307 1.445 1.00 0.00 C ATOM 530 C ARG A 38 -9.881 -2.796 2.739 1.00 0.00 C ATOM 531 O ARG A 38 -10.934 -3.434 2.715 1.00 0.00 O ATOM 532 CB ARG A 38 -8.773 -0.853 1.599 1.00 0.00 C ATOM 533 CG ARG A 38 -9.831 0.074 2.182 1.00 0.00 C ATOM 534 CD ARG A 38 -11.037 0.195 1.264 1.00 0.00 C ATOM 535 NE ARG A 38 -10.660 0.601 -0.087 1.00 0.00 N ATOM 536 CZ ARG A 38 -11.518 0.693 -1.100 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.802 0.409 -0.920 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -11.092 1.071 -2.298 1.00 0.00 N ATOM 0 H ARG A 38 -11.134 -2.559 0.594 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.366 -2.933 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.891 -0.829 2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.470 -0.473 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.149 -0.302 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.399 1.061 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.558 -0.762 1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.736 0.921 1.679 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.681 0.827 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.136 0.118 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.455 0.481 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.107 1.291 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.750 1.141 -3.074 1.00 0.00 H new ATOM 552 N GLU A 39 -9.245 -2.493 3.866 1.00 0.00 N ATOM 553 CA GLU A 39 -9.760 -2.902 5.167 1.00 0.00 C ATOM 554 C GLU A 39 -9.206 -2.014 6.277 1.00 0.00 C ATOM 555 O GLU A 39 -8.473 -1.060 6.015 1.00 0.00 O ATOM 556 CB GLU A 39 -9.405 -4.364 5.443 1.00 0.00 C ATOM 557 CG GLU A 39 -10.448 -5.349 4.940 1.00 0.00 C ATOM 558 CD GLU A 39 -10.686 -6.491 5.908 1.00 0.00 C ATOM 559 OE1 GLU A 39 -10.599 -6.259 7.132 1.00 0.00 O ATOM 560 OE2 GLU A 39 -10.959 -7.617 5.442 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.373 -1.966 3.904 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.845 -2.795 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.447 -4.591 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.276 -4.501 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.387 -4.822 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.128 -5.753 3.979 1.00 0.00 H new ATOM 567 N HIS A 40 -9.561 -2.335 7.517 1.00 0.00 N ATOM 568 CA HIS A 40 -9.100 -1.567 8.668 1.00 0.00 C ATOM 569 C HIS A 40 -8.574 -2.492 9.764 1.00 0.00 C ATOM 570 O HIS A 40 -9.331 -2.940 10.624 1.00 0.00 O ATOM 571 CB HIS A 40 -10.235 -0.702 9.217 1.00 0.00 C ATOM 572 CG HIS A 40 -11.493 -1.467 9.488 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.950 -2.049 10.622 1.00 0.00 N flip ATOM 574 CD2 HIS A 40 -12.450 -1.708 8.524 1.00 0.00 C flip ATOM 575 CE1 HIS A 40 -13.162 -2.623 10.325 1.00 0.00 C flip ATOM 576 NE2 HIS A 40 -13.441 -2.403 9.054 1.00 0.00 N flip ATOM 0 H HIS A 40 -10.167 -3.122 7.750 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.286 -0.921 8.340 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.904 -0.225 10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.450 0.095 8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.397 -1.380 7.496 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.786 -3.166 11.019 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.279 -2.716 8.564 1.00 0.00 H new ATOM 585 N PRO A 41 -7.263 -2.792 9.747 1.00 0.00 N ATOM 586 CA PRO A 41 -6.641 -3.669 10.745 1.00 0.00 C ATOM 587 C PRO A 41 -6.601 -3.033 12.130 1.00 0.00 C ATOM 588 O PRO A 41 -6.881 -1.844 12.287 1.00 0.00 O ATOM 589 CB PRO A 41 -5.222 -3.873 10.209 1.00 0.00 C ATOM 590 CG PRO A 41 -4.961 -2.678 9.360 1.00 0.00 C ATOM 591 CD PRO A 41 -6.286 -2.302 8.756 1.00 0.00 C ATOM 0 HA PRO A 41 -7.198 -4.597 10.873 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.499 -3.947 11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.146 -4.794 9.630 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.556 -1.858 9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.228 -2.902 8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.369 -1.225 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.431 -2.770 7.782 1.00 0.00 H new ATOM 599 N ILE A 42 -6.252 -3.833 13.132 1.00 0.00 N ATOM 600 CA ILE A 42 -6.175 -3.349 14.506 1.00 0.00 C ATOM 601 C ILE A 42 -5.056 -2.324 14.666 1.00 0.00 C ATOM 602 O ILE A 42 -4.124 -2.277 13.862 1.00 0.00 O ATOM 603 CB ILE A 42 -5.947 -4.510 15.496 1.00 0.00 C ATOM 604 CG1 ILE A 42 -5.984 -3.999 16.938 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.625 -5.204 15.207 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.000 -5.105 17.971 1.00 0.00 C ATOM 0 H ILE A 42 -6.018 -4.819 13.019 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.130 -2.873 14.731 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.750 -5.236 15.369 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.116 -3.363 17.112 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.868 -3.375 17.071 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.480 -6.020 15.915 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.637 -5.601 14.192 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.809 -4.488 15.307 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.026 -4.670 18.970 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.882 -5.728 17.823 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.103 -5.715 17.865 1.00 0.00 H new ATOM 618 N MET A 43 -5.154 -1.506 15.709 1.00 0.00 N ATOM 619 CA MET A 43 -4.150 -0.481 15.975 1.00 0.00 C ATOM 620 C MET A 43 -2.768 -1.103 16.147 1.00 0.00 C ATOM 621 O MET A 43 -2.626 -2.326 16.181 1.00 0.00 O ATOM 622 CB MET A 43 -4.523 0.313 17.228 1.00 0.00 C ATOM 623 CG MET A 43 -4.797 -0.559 18.442 1.00 0.00 C ATOM 624 SD MET A 43 -6.159 0.059 19.449 1.00 0.00 S ATOM 625 CE MET A 43 -7.237 -1.371 19.476 1.00 0.00 C ATOM 0 H MET A 43 -5.918 -1.533 16.384 1.00 0.00 H new ATOM 0 HA MET A 43 -4.121 0.194 15.119 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.715 1.005 17.463 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.407 0.915 17.017 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.025 -1.573 18.112 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.896 -0.618 19.053 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.127 -1.145 20.063 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.529 -1.626 18.457 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.712 -2.214 19.924 1.00 0.00 H new ATOM 635 N GLY A 44 -1.751 -0.254 16.254 1.00 0.00 N ATOM 636 CA GLY A 44 -0.394 -0.739 16.421 1.00 0.00 C ATOM 637 C GLY A 44 0.632 0.376 16.363 1.00 0.00 C ATOM 638 O GLY A 44 0.277 1.553 16.301 1.00 0.00 O ATOM 0 H GLY A 44 -1.843 0.762 16.228 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.311 -1.255 17.377 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.175 -1.471 15.644 1.00 0.00 H new ATOM 642 N GLY A 45 1.908 0.005 16.382 1.00 0.00 N ATOM 643 CA GLY A 45 2.970 0.993 16.330 1.00 0.00 C ATOM 644 C GLY A 45 3.997 0.686 15.258 1.00 0.00 C ATOM 645 O GLY A 45 3.746 -0.120 14.361 1.00 0.00 O ATOM 0 H GLY A 45 2.226 -0.963 16.433 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.538 1.976 16.144 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.465 1.041 17.300 1.00 0.00 H new ATOM 649 N ILE A 46 5.157 1.328 15.350 1.00 0.00 N ATOM 650 CA ILE A 46 6.225 1.118 14.380 1.00 0.00 C ATOM 651 C ILE A 46 7.043 -0.123 14.724 1.00 0.00 C ATOM 652 O ILE A 46 8.234 -0.034 15.025 1.00 0.00 O ATOM 653 CB ILE A 46 7.166 2.338 14.305 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.355 3.632 14.208 1.00 0.00 C ATOM 655 CG2 ILE A 46 8.109 2.206 13.119 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.543 3.744 12.936 1.00 0.00 C ATOM 0 H ILE A 46 5.381 1.998 16.086 1.00 0.00 H new ATOM 0 HA ILE A 46 5.748 0.978 13.410 1.00 0.00 H new ATOM 0 HB ILE A 46 7.763 2.375 15.217 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.684 3.695 15.064 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.034 4.482 14.272 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.767 3.074 13.079 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.708 1.302 13.229 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.529 2.147 12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.994 4.686 12.936 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.210 3.713 12.075 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.839 2.914 12.880 1.00 0.00 H new ATOM 668 N TYR A 47 6.395 -1.282 14.679 1.00 0.00 N ATOM 669 CA TYR A 47 7.061 -2.543 14.985 1.00 0.00 C ATOM 670 C TYR A 47 6.112 -3.720 14.789 1.00 0.00 C ATOM 671 O TYR A 47 6.505 -4.769 14.278 1.00 0.00 O ATOM 672 CB TYR A 47 7.586 -2.531 16.422 1.00 0.00 C ATOM 673 CG TYR A 47 8.873 -3.305 16.603 1.00 0.00 C ATOM 674 CD1 TYR A 47 10.102 -2.724 16.316 1.00 0.00 C ATOM 675 CD2 TYR A 47 8.858 -4.616 17.062 1.00 0.00 C ATOM 676 CE1 TYR A 47 11.279 -3.427 16.480 1.00 0.00 C ATOM 677 CE2 TYR A 47 10.032 -5.326 17.229 1.00 0.00 C ATOM 678 CZ TYR A 47 11.239 -4.728 16.937 1.00 0.00 C ATOM 679 OH TYR A 47 12.410 -5.432 17.102 1.00 0.00 O ATOM 0 H TYR A 47 5.409 -1.374 14.434 1.00 0.00 H new ATOM 0 HA TYR A 47 7.901 -2.658 14.299 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.746 -1.499 16.733 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.825 -2.948 17.081 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.137 -1.705 15.959 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.914 -5.088 17.292 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.226 -2.961 16.252 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.004 -6.345 17.587 1.00 0.00 H new ATOM 0 HH TYR A 47 12.207 -6.332 17.432 1.00 0.00 H new ATOM 689 N ASP A 48 4.861 -3.539 15.199 1.00 0.00 N ATOM 690 CA ASP A 48 3.855 -4.586 15.068 1.00 0.00 C ATOM 691 C ASP A 48 3.581 -4.898 13.600 1.00 0.00 C ATOM 692 O ASP A 48 3.400 -3.992 12.786 1.00 0.00 O ATOM 693 CB ASP A 48 2.558 -4.166 15.762 1.00 0.00 C ATOM 694 CG ASP A 48 2.508 -4.609 17.211 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.230 -5.802 17.458 1.00 0.00 O ATOM 696 OD2 ASP A 48 2.747 -3.764 18.099 1.00 0.00 O1- ATOM 0 H ASP A 48 4.520 -2.677 15.625 1.00 0.00 H new ATOM 0 HA ASP A 48 4.240 -5.486 15.546 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.457 -3.082 15.713 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.709 -4.590 15.226 1.00 0.00 H new ATOM 701 N ALA A 49 3.553 -6.184 13.269 1.00 0.00 N ATOM 702 CA ALA A 49 3.301 -6.617 11.900 1.00 0.00 C ATOM 703 C ALA A 49 2.357 -7.818 11.867 1.00 0.00 C ATOM 704 O ALA A 49 2.742 -8.909 11.445 1.00 0.00 O ATOM 705 CB ALA A 49 4.614 -6.954 11.207 1.00 0.00 C ATOM 0 H ALA A 49 3.702 -6.946 13.931 1.00 0.00 H new ATOM 0 HA ALA A 49 2.819 -5.797 11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.414 -7.276 10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.254 -6.072 11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.116 -7.756 11.749 1.00 0.00 H new ATOM 711 N PRO A 50 1.102 -7.634 12.314 1.00 0.00 N ATOM 712 CA PRO A 50 0.105 -8.709 12.333 1.00 0.00 C ATOM 713 C PRO A 50 -0.268 -9.177 10.933 1.00 0.00 C ATOM 714 O PRO A 50 0.013 -10.312 10.548 1.00 0.00 O ATOM 715 CB PRO A 50 -1.111 -8.075 13.027 1.00 0.00 C ATOM 716 CG PRO A 50 -0.596 -6.836 13.679 1.00 0.00 C ATOM 717 CD PRO A 50 0.555 -6.373 12.835 1.00 0.00 C ATOM 0 HA PRO A 50 0.482 -9.596 12.842 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.896 -7.843 12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.542 -8.755 13.762 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.372 -6.072 13.734 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.274 -7.037 14.701 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.228 -5.711 12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.292 -5.824 13.421 1.00 0.00 H new ATOM 725 N LEU A 51 -0.905 -8.292 10.177 1.00 0.00 N ATOM 726 CA LEU A 51 -1.325 -8.605 8.815 1.00 0.00 C ATOM 727 C LEU A 51 -2.221 -9.840 8.791 1.00 0.00 C ATOM 728 O LEU A 51 -1.955 -10.802 8.069 1.00 0.00 O ATOM 729 CB LEU A 51 -0.103 -8.824 7.919 1.00 0.00 C ATOM 730 CG LEU A 51 -0.236 -8.272 6.498 1.00 0.00 C ATOM 731 CD1 LEU A 51 0.999 -8.606 5.676 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.488 -8.821 5.829 1.00 0.00 C ATOM 0 H LEU A 51 -1.143 -7.349 10.484 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.897 -7.759 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.763 -8.362 8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.098 -9.894 7.860 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.324 -7.187 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.885 -8.205 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.878 -8.165 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.120 -9.688 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.567 -8.418 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.429 -9.908 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.366 -8.530 6.406 1.00 0.00 H new ATOM 744 N ASN A 52 -3.286 -9.806 9.587 1.00 0.00 N ATOM 745 CA ASN A 52 -4.223 -10.921 9.660 1.00 0.00 C ATOM 746 C ASN A 52 -4.822 -11.222 8.290 1.00 0.00 C ATOM 747 O ASN A 52 -5.154 -12.368 7.985 1.00 0.00 O ATOM 748 CB ASN A 52 -5.339 -10.612 10.660 1.00 0.00 C ATOM 749 CG ASN A 52 -4.814 -10.412 12.068 1.00 0.00 C ATOM 750 OD1 ASN A 52 -4.524 -9.289 12.482 1.00 0.00 O ATOM 751 ND2 ASN A 52 -4.689 -11.504 12.814 1.00 0.00 N ATOM 0 H ASN A 52 -3.521 -9.018 10.190 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.675 -11.801 9.997 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.870 -9.715 10.342 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.062 -11.428 10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.341 -11.431 13.770 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.941 -12.415 12.431 1.00 0.00 H new ATOM 758 N ASN A 53 -4.957 -10.187 7.468 1.00 0.00 N ATOM 759 CA ASN A 53 -5.516 -10.342 6.130 1.00 0.00 C ATOM 760 C ASN A 53 -4.444 -10.795 5.141 1.00 0.00 C ATOM 761 O ASN A 53 -4.183 -10.128 4.139 1.00 0.00 O ATOM 762 CB ASN A 53 -6.147 -9.026 5.665 1.00 0.00 C ATOM 763 CG ASN A 53 -7.539 -9.222 5.099 1.00 0.00 C ATOM 764 OD1 ASN A 53 -7.753 -10.061 4.224 1.00 0.00 O ATOM 765 ND2 ASN A 53 -8.494 -8.445 5.596 1.00 0.00 N ATOM 0 H ASN A 53 -4.687 -9.232 7.705 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.289 -11.110 6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.193 -8.332 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.511 -8.569 4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.451 -8.530 5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.271 -7.763 6.321 1.00 0.00 H new ATOM 772 N GLU A 54 -3.825 -11.935 5.431 1.00 0.00 N ATOM 773 CA GLU A 54 -2.782 -12.480 4.569 1.00 0.00 C ATOM 774 C GLU A 54 -3.354 -13.493 3.579 1.00 0.00 C ATOM 775 O GLU A 54 -2.616 -14.284 2.994 1.00 0.00 O ATOM 776 CB GLU A 54 -1.689 -13.139 5.414 1.00 0.00 C ATOM 777 CG GLU A 54 -2.189 -14.300 6.257 1.00 0.00 C ATOM 778 CD GLU A 54 -1.086 -15.276 6.618 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.095 -14.846 7.244 1.00 0.00 O1- ATOM 780 OE2 GLU A 54 -1.214 -16.470 6.274 1.00 0.00 O ATOM 0 H GLU A 54 -4.028 -12.499 6.256 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.352 -11.655 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.897 -13.494 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.246 -12.389 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.640 -13.913 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.973 -14.828 5.714 1.00 0.00 H new ATOM 787 N ASN A 55 -4.672 -13.465 3.396 1.00 0.00 N ATOM 788 CA ASN A 55 -5.334 -14.384 2.476 1.00 0.00 C ATOM 789 C ASN A 55 -4.781 -14.234 1.063 1.00 0.00 C ATOM 790 O ASN A 55 -4.535 -15.224 0.373 1.00 0.00 O ATOM 791 CB ASN A 55 -6.844 -14.137 2.474 1.00 0.00 C ATOM 792 CG ASN A 55 -7.439 -14.181 3.868 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.556 -15.247 4.472 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.820 -13.019 4.385 1.00 0.00 N ATOM 0 H ASN A 55 -5.300 -12.817 3.872 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.139 -15.401 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.050 -13.166 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.331 -14.886 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.229 -12.986 5.319 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.704 -12.159 3.848 1.00 0.00 H new ATOM 801 N GLY A 56 -4.585 -12.990 0.638 1.00 0.00 N ATOM 802 CA GLY A 56 -4.060 -12.735 -0.690 1.00 0.00 C ATOM 803 C GLY A 56 -4.810 -11.631 -1.410 1.00 0.00 C ATOM 804 O GLY A 56 -4.199 -10.724 -1.977 1.00 0.00 O ATOM 0 H GLY A 56 -4.780 -12.155 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.007 -12.465 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.113 -13.650 -1.280 1.00 0.00 H new ATOM 808 N PHE A 57 -6.136 -11.708 -1.390 1.00 0.00 N ATOM 809 CA PHE A 57 -6.970 -10.708 -2.047 1.00 0.00 C ATOM 810 C PHE A 57 -6.833 -9.351 -1.365 1.00 0.00 C ATOM 811 O PHE A 57 -6.804 -8.313 -2.026 1.00 0.00 O ATOM 812 CB PHE A 57 -8.434 -11.150 -2.038 1.00 0.00 C ATOM 813 CG PHE A 57 -8.682 -12.423 -2.798 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.463 -13.654 -2.201 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.133 -12.387 -4.107 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.690 -14.827 -2.897 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.361 -13.556 -4.808 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.139 -14.777 -4.202 1.00 0.00 C ATOM 0 H PHE A 57 -6.657 -12.452 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.632 -10.611 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.758 -11.284 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.047 -10.356 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.111 -13.698 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.308 -11.435 -4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.516 -15.781 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.712 -13.515 -5.828 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.316 -15.692 -4.748 1.00 0.00 H new ATOM 828 N ASP A 58 -6.750 -9.366 -0.039 1.00 0.00 N ATOM 829 CA ASP A 58 -6.618 -8.135 0.733 1.00 0.00 C ATOM 830 C ASP A 58 -5.235 -7.520 0.545 1.00 0.00 C ATOM 831 O ASP A 58 -5.109 -6.330 0.253 1.00 0.00 O ATOM 832 CB ASP A 58 -6.870 -8.410 2.216 1.00 0.00 C ATOM 833 CG ASP A 58 -6.834 -7.145 3.052 1.00 0.00 C ATOM 834 OD1 ASP A 58 -5.723 -6.639 3.317 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -7.917 -6.661 3.443 1.00 0.00 O ATOM 0 H ASP A 58 -6.772 -10.216 0.524 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.362 -7.426 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.840 -8.893 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.119 -9.108 2.586 1.00 0.00 H new ATOM 840 N LYS A 59 -4.200 -8.335 0.716 1.00 0.00 N ATOM 841 CA LYS A 59 -2.826 -7.868 0.566 1.00 0.00 C ATOM 842 C LYS A 59 -2.586 -7.327 -0.840 1.00 0.00 C ATOM 843 O LYS A 59 -1.932 -6.299 -1.017 1.00 0.00 O ATOM 844 CB LYS A 59 -1.842 -9.001 0.872 1.00 0.00 C ATOM 845 CG LYS A 59 -1.778 -10.068 -0.209 1.00 0.00 C ATOM 846 CD LYS A 59 -0.732 -11.124 0.111 1.00 0.00 C ATOM 847 CE LYS A 59 0.562 -10.874 -0.647 1.00 0.00 C ATOM 848 NZ LYS A 59 1.712 -11.594 -0.035 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.286 -9.322 0.959 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.663 -7.058 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.847 -8.578 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.124 -9.469 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.754 -10.541 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.546 -9.603 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.532 -11.127 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.119 -12.110 -0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.444 -11.193 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.771 -9.804 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.602 -11.209 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.689 -11.470 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.649 -12.607 -0.264 1.00 0.00 H new ATOM 862 N GLU A 60 -3.119 -8.026 -1.836 1.00 0.00 N ATOM 863 CA GLU A 60 -2.962 -7.618 -3.227 1.00 0.00 C ATOM 864 C GLU A 60 -3.741 -6.337 -3.510 1.00 0.00 C ATOM 865 O GLU A 60 -3.229 -5.415 -4.144 1.00 0.00 O ATOM 866 CB GLU A 60 -3.431 -8.732 -4.164 1.00 0.00 C ATOM 867 CG GLU A 60 -2.587 -9.993 -4.080 1.00 0.00 C ATOM 868 CD GLU A 60 -1.607 -10.116 -5.230 1.00 0.00 C ATOM 869 OE1 GLU A 60 -1.935 -9.651 -6.342 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -0.512 -10.678 -5.019 1.00 0.00 O ATOM 0 H GLU A 60 -3.664 -8.878 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.904 -7.425 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.466 -8.981 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.417 -8.363 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.038 -9.997 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.242 -10.864 -4.071 1.00 0.00 H new ATOM 877 N ASP A 61 -4.981 -6.288 -3.034 1.00 0.00 N ATOM 878 CA ASP A 61 -5.831 -5.119 -3.236 1.00 0.00 C ATOM 879 C ASP A 61 -5.182 -3.869 -2.651 1.00 0.00 C ATOM 880 O ASP A 61 -5.114 -2.828 -3.306 1.00 0.00 O ATOM 881 CB ASP A 61 -7.202 -5.343 -2.596 1.00 0.00 C ATOM 882 CG ASP A 61 -8.066 -6.297 -3.398 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.807 -6.455 -4.609 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -9.000 -6.885 -2.814 1.00 0.00 O ATOM 0 H ASP A 61 -5.420 -7.043 -2.506 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.958 -4.973 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.069 -5.737 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.715 -4.386 -2.499 1.00 0.00 H new ATOM 889 N LEU A 62 -4.705 -3.978 -1.416 1.00 0.00 N ATOM 890 CA LEU A 62 -4.060 -2.858 -0.743 1.00 0.00 C ATOM 891 C LEU A 62 -2.777 -2.456 -1.464 1.00 0.00 C ATOM 892 O LEU A 62 -2.590 -1.292 -1.818 1.00 0.00 O ATOM 893 CB LEU A 62 -3.755 -3.219 0.713 1.00 0.00 C ATOM 894 CG LEU A 62 -2.940 -2.183 1.494 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.422 -0.771 1.193 1.00 0.00 C ATOM 896 CD2 LEU A 62 -3.021 -2.465 2.985 1.00 0.00 C ATOM 0 H LEU A 62 -4.753 -4.832 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.744 -2.010 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.699 -3.381 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.216 -4.166 0.729 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.900 -2.259 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.827 -0.055 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.314 -0.569 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.470 -0.676 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.438 -1.722 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.061 -2.417 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.623 -3.459 3.189 1.00 0.00 H new ATOM 908 N ALA A 63 -1.895 -3.428 -1.681 1.00 0.00 N ATOM 909 CA ALA A 63 -0.629 -3.175 -2.363 1.00 0.00 C ATOM 910 C ALA A 63 -0.856 -2.484 -3.704 1.00 0.00 C ATOM 911 O ALA A 63 -0.291 -1.424 -3.972 1.00 0.00 O ATOM 912 CB ALA A 63 0.134 -4.476 -2.559 1.00 0.00 C ATOM 0 H ALA A 63 -2.033 -4.397 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.034 -2.509 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.076 -4.272 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.337 -4.928 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.463 -5.161 -3.161 1.00 0.00 H new ATOM 918 N ARG A 64 -1.690 -3.091 -4.543 1.00 0.00 N ATOM 919 CA ARG A 64 -1.995 -2.533 -5.855 1.00 0.00 C ATOM 920 C ARG A 64 -2.669 -1.172 -5.719 1.00 0.00 C ATOM 921 O ARG A 64 -2.437 -0.269 -6.523 1.00 0.00 O ATOM 922 CB ARG A 64 -2.896 -3.486 -6.641 1.00 0.00 C ATOM 923 CG ARG A 64 -2.733 -3.374 -8.148 1.00 0.00 C ATOM 924 CD ARG A 64 -3.063 -1.974 -8.641 1.00 0.00 C ATOM 925 NE ARG A 64 -3.672 -1.991 -9.969 1.00 0.00 N ATOM 926 CZ ARG A 64 -3.024 -2.343 -11.077 1.00 0.00 C ATOM 927 NH1 ARG A 64 -1.749 -2.706 -11.022 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -3.654 -2.331 -12.245 1.00 0.00 N ATOM 0 H ARG A 64 -2.166 -3.969 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.058 -2.404 -6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.681 -4.510 -6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.936 -3.287 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.709 -3.626 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.383 -4.097 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.742 -1.492 -7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.153 -1.375 -8.667 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.651 -1.717 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.260 -2.716 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.258 -2.975 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.634 -2.052 -12.293 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.158 -2.601 -13.095 1.00 0.00 H new ATOM 942 N PHE A 65 -3.504 -1.033 -4.694 1.00 0.00 N ATOM 943 CA PHE A 65 -4.214 0.216 -4.448 1.00 0.00 C ATOM 944 C PHE A 65 -3.232 1.364 -4.232 1.00 0.00 C ATOM 945 O PHE A 65 -3.242 2.348 -4.970 1.00 0.00 O ATOM 946 CB PHE A 65 -5.130 0.074 -3.230 1.00 0.00 C ATOM 947 CG PHE A 65 -5.897 1.324 -2.904 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.808 1.849 -3.807 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.706 1.974 -1.695 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.515 2.999 -3.509 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.410 3.124 -1.392 1.00 0.00 C ATOM 952 CZ PHE A 65 -7.316 3.637 -2.300 1.00 0.00 C ATOM 0 H PHE A 65 -3.705 -1.771 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.821 0.441 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.835 -0.738 -3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.530 -0.209 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.967 1.354 -4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.999 1.577 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.222 3.398 -4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.252 3.621 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.868 4.535 -2.065 1.00 0.00 H new ATOM 962 N ALA A 66 -2.385 1.229 -3.216 1.00 0.00 N ATOM 963 CA ALA A 66 -1.395 2.254 -2.905 1.00 0.00 C ATOM 964 C ALA A 66 -0.470 2.501 -4.092 1.00 0.00 C ATOM 965 O ALA A 66 -0.314 3.636 -4.549 1.00 0.00 O ATOM 966 CB ALA A 66 -0.589 1.853 -1.678 1.00 0.00 C ATOM 0 H ALA A 66 -2.365 0.420 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.923 3.183 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.146 2.627 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.258 1.734 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.077 0.910 -1.871 1.00 0.00 H new ATOM 972 N VAL A 67 0.139 1.430 -4.593 1.00 0.00 N ATOM 973 CA VAL A 67 1.048 1.528 -5.729 1.00 0.00 C ATOM 974 C VAL A 67 0.398 2.284 -6.884 1.00 0.00 C ATOM 975 O VAL A 67 0.960 3.248 -7.402 1.00 0.00 O ATOM 976 CB VAL A 67 1.486 0.134 -6.221 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.466 0.255 -7.378 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.095 -0.668 -5.081 1.00 0.00 C ATOM 0 H VAL A 67 0.019 0.485 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 67 1.927 2.075 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 67 0.603 -0.396 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.762 -0.740 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.991 0.786 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.348 0.806 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.398 -1.649 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.966 -0.142 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.358 -0.789 -4.287 1.00 0.00 H new ATOM 988 N ARG A 68 -0.791 1.842 -7.277 1.00 0.00 N ATOM 989 CA ARG A 68 -1.521 2.478 -8.366 1.00 0.00 C ATOM 990 C ARG A 68 -1.933 3.897 -7.986 1.00 0.00 C ATOM 991 O ARG A 68 -2.027 4.777 -8.841 1.00 0.00 O ATOM 992 CB ARG A 68 -2.757 1.650 -8.728 1.00 0.00 C ATOM 993 CG ARG A 68 -3.625 2.284 -9.804 1.00 0.00 C ATOM 994 CD ARG A 68 -4.390 1.234 -10.594 1.00 0.00 C ATOM 995 NE ARG A 68 -3.752 0.943 -11.876 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.373 0.354 -12.896 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.646 -0.007 -12.788 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.720 0.126 -14.027 1.00 0.00 N ATOM 0 H ARG A 68 -1.270 1.045 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.863 2.532 -9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.437 0.665 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.358 1.500 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.328 2.978 -9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.000 2.866 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.460 0.318 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.409 1.581 -10.766 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.774 1.206 -11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.153 0.167 -11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.117 -0.458 -13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.742 0.402 -14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.196 -0.325 -14.808 1.00 0.00 H new ATOM 1012 N GLU A 69 -2.176 4.113 -6.697 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.576 5.426 -6.204 1.00 0.00 C ATOM 1014 C GLU A 69 -1.479 6.455 -6.452 1.00 0.00 C ATOM 1015 O GLU A 69 -1.753 7.588 -6.845 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.899 5.359 -4.710 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.598 6.601 -4.182 1.00 0.00 C ATOM 1018 CD GLU A 69 -2.660 7.784 -4.041 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -1.435 7.561 -3.942 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -3.150 8.933 -4.030 1.00 0.00 O ATOM 0 H GLU A 69 -2.103 3.396 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.470 5.733 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.529 4.490 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.974 5.209 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.414 6.867 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.043 6.378 -3.213 1.00 0.00 H new ATOM 1027 N TYR A 70 -0.236 6.051 -6.218 1.00 0.00 N ATOM 1028 CA TYR A 70 0.904 6.940 -6.416 1.00 0.00 C ATOM 1029 C TYR A 70 1.478 6.798 -7.827 1.00 0.00 C ATOM 1030 O TYR A 70 2.227 7.655 -8.291 1.00 0.00 O ATOM 1031 CB TYR A 70 1.984 6.651 -5.366 1.00 0.00 C ATOM 1032 CG TYR A 70 3.060 5.688 -5.824 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.161 6.139 -6.542 1.00 0.00 C ATOM 1034 CD2 TYR A 70 2.972 4.332 -5.540 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.144 5.264 -6.964 1.00 0.00 C ATOM 1036 CE2 TYR A 70 3.951 3.451 -5.959 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.035 3.921 -6.670 1.00 0.00 C ATOM 1038 OH TYR A 70 6.011 3.047 -7.088 1.00 0.00 O ATOM 0 H TYR A 70 0.009 5.116 -5.892 1.00 0.00 H new ATOM 0 HA TYR A 70 0.560 7.968 -6.298 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.454 7.591 -5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.507 6.246 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.250 7.190 -6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.125 3.960 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.993 5.630 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.867 2.399 -5.730 1.00 0.00 H new ATOM 0 HH TYR A 70 6.276 2.471 -6.341 1.00 0.00 H new ATOM 1048 N ASN A 71 1.131 5.707 -8.500 1.00 0.00 N ATOM 1049 CA ASN A 71 1.622 5.457 -9.851 1.00 0.00 C ATOM 1050 C ASN A 71 0.713 6.089 -10.904 1.00 0.00 C ATOM 1051 O ASN A 71 1.131 6.310 -12.040 1.00 0.00 O ATOM 1052 CB ASN A 71 1.740 3.953 -10.103 1.00 0.00 C ATOM 1053 CG ASN A 71 3.042 3.382 -9.575 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.055 2.642 -8.592 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.146 3.726 -10.227 1.00 0.00 N ATOM 0 H ASN A 71 0.513 4.983 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 71 2.607 5.916 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.903 3.441 -9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.668 3.759 -11.173 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.052 3.374 -9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.088 4.342 -11.038 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.531 6.373 -10.527 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.485 6.973 -11.453 1.00 0.00 C ATOM 1064 C ASN A 72 -1.351 8.494 -11.479 1.00 0.00 C ATOM 1065 O ASN A 72 -1.536 9.124 -12.521 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.917 6.571 -11.077 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.515 7.448 -9.991 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.384 7.017 -8.743 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -4.087 8.501 -10.273 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.900 6.198 -9.592 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.263 6.599 -12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.547 6.621 -11.965 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.921 5.534 -10.742 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.165 8.794 -11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.483 9.080 -9.533 1.00 0.00 H new ATOM 1076 N LYS A 73 -1.039 9.080 -10.325 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.892 10.531 -10.217 1.00 0.00 C ATOM 1078 C LYS A 73 -0.047 11.093 -11.363 1.00 0.00 C ATOM 1079 O LYS A 73 -0.584 11.543 -12.375 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.282 10.925 -8.868 1.00 0.00 C ATOM 1081 CG LYS A 73 0.702 9.912 -8.314 1.00 0.00 C ATOM 1082 CD LYS A 73 1.786 10.586 -7.484 1.00 0.00 C ATOM 1083 CE LYS A 73 3.178 10.190 -7.949 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.186 11.243 -7.644 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.883 8.574 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.890 10.963 -10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.223 11.885 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.086 11.068 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.171 9.185 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.160 9.361 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.675 11.668 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.662 10.316 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.470 9.257 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.162 10.002 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.107 10.798 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.273 11.886 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.883 11.782 -6.808 1.00 0.00 H new ATOM 1098 N ASN A 74 1.272 11.069 -11.198 1.00 0.00 N ATOM 1099 CA ASN A 74 2.179 11.580 -12.217 1.00 0.00 C ATOM 1100 C ASN A 74 3.491 10.796 -12.237 1.00 0.00 C ATOM 1101 O ASN A 74 4.468 11.228 -12.849 1.00 0.00 O ATOM 1102 CB ASN A 74 2.466 13.059 -11.958 1.00 0.00 C ATOM 1103 CG ASN A 74 2.922 13.313 -10.533 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.117 12.837 -10.198 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 2.209 13.932 -9.743 1.00 0.00 N flip ATOM 0 H ASN A 74 1.736 10.701 -10.367 1.00 0.00 H new ATOM 0 HA ASN A 74 1.698 11.462 -13.188 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.233 13.405 -12.650 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.568 13.643 -12.160 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.298 14.280 -10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.529 14.097 -8.789 1.00 0.00 H new ATOM 1112 N ASN A 75 3.516 9.649 -11.561 1.00 0.00 N ATOM 1113 CA ASN A 75 4.718 8.827 -11.505 1.00 0.00 C ATOM 1114 C ASN A 75 4.807 7.907 -12.720 1.00 0.00 C ATOM 1115 O ASN A 75 4.093 8.092 -13.706 1.00 0.00 O ATOM 1116 CB ASN A 75 4.736 8.000 -10.217 1.00 0.00 C ATOM 1117 CG ASN A 75 6.040 8.140 -9.458 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.328 9.191 -8.884 1.00 0.00 O ATOM 1119 ND2 ASN A 75 6.838 7.079 -9.451 1.00 0.00 N ATOM 0 H ASN A 75 2.720 9.271 -11.047 1.00 0.00 H new ATOM 0 HA ASN A 75 5.583 9.490 -11.513 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.911 8.312 -9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.571 6.950 -10.460 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.729 7.115 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.560 6.228 -9.940 1.00 0.00 H new ATOM 1126 N ALA A 76 5.685 6.912 -12.640 1.00 0.00 N ATOM 1127 CA ALA A 76 5.865 5.960 -13.729 1.00 0.00 C ATOM 1128 C ALA A 76 4.719 4.952 -13.767 1.00 0.00 C ATOM 1129 O ALA A 76 3.676 5.161 -13.148 1.00 0.00 O ATOM 1130 CB ALA A 76 7.201 5.244 -13.586 1.00 0.00 C ATOM 0 H ALA A 76 6.283 6.745 -11.831 1.00 0.00 H new ATOM 0 HA ALA A 76 5.861 6.510 -14.670 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.324 4.536 -14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.010 5.974 -13.613 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.227 4.709 -12.637 1.00 0.00 H new ATOM 1136 N LEU A 77 4.919 3.858 -14.497 1.00 0.00 N ATOM 1137 CA LEU A 77 3.899 2.822 -14.612 1.00 0.00 C ATOM 1138 C LEU A 77 4.493 1.439 -14.355 1.00 0.00 C ATOM 1139 O LEU A 77 4.924 0.755 -15.282 1.00 0.00 O ATOM 1140 CB LEU A 77 3.252 2.867 -15.999 1.00 0.00 C ATOM 1141 CG LEU A 77 1.723 2.909 -15.999 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.156 1.755 -15.186 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.228 4.241 -15.453 1.00 0.00 C ATOM 0 H LEU A 77 5.776 3.667 -15.016 1.00 0.00 H new ATOM 0 HA LEU A 77 3.136 3.012 -13.857 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.624 3.744 -16.529 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.576 1.992 -16.563 1.00 0.00 H new ATOM 0 HG LEU A 77 1.376 2.807 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.067 1.802 -15.198 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.483 0.810 -15.619 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.511 1.825 -14.158 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.138 4.255 -15.460 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.586 4.371 -14.432 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.605 5.052 -16.076 1.00 0.00 H new ATOM 1155 N LEU A 78 4.512 1.036 -13.088 1.00 0.00 N ATOM 1156 CA LEU A 78 5.050 -0.264 -12.706 1.00 0.00 C ATOM 1157 C LEU A 78 3.938 -1.188 -12.220 1.00 0.00 C ATOM 1158 O LEU A 78 2.763 -0.819 -12.232 1.00 0.00 O ATOM 1159 CB LEU A 78 6.107 -0.099 -11.612 1.00 0.00 C ATOM 1160 CG LEU A 78 5.812 0.995 -10.584 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.555 0.660 -9.797 1.00 0.00 C ATOM 1162 CD2 LEU A 78 6.997 1.181 -9.647 1.00 0.00 C ATOM 0 H LEU A 78 4.161 1.592 -12.308 1.00 0.00 H new ATOM 0 HA LEU A 78 5.514 -0.712 -13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.216 -1.048 -11.088 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.066 0.117 -12.084 1.00 0.00 H new ATOM 0 HG LEU A 78 5.645 1.932 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.360 1.449 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.709 0.578 -10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.694 -0.287 -9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.769 1.963 -8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.196 0.247 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.876 1.467 -10.225 1.00 0.00 H new ATOM 1174 N GLU A 79 4.313 -2.390 -11.794 1.00 0.00 N ATOM 1175 CA GLU A 79 3.341 -3.362 -11.306 1.00 0.00 C ATOM 1176 C GLU A 79 3.884 -4.126 -10.103 1.00 0.00 C ATOM 1177 O GLU A 79 4.979 -4.687 -10.153 1.00 0.00 O ATOM 1178 CB GLU A 79 2.968 -4.343 -12.420 1.00 0.00 C ATOM 1179 CG GLU A 79 2.452 -3.666 -13.679 1.00 0.00 C ATOM 1180 CD GLU A 79 2.121 -4.655 -14.779 1.00 0.00 C ATOM 1181 OE1 GLU A 79 1.369 -5.615 -14.508 1.00 0.00 O ATOM 1182 OE2 GLU A 79 2.614 -4.470 -15.912 1.00 0.00 O1- ATOM 0 H GLU A 79 5.280 -2.714 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 79 2.450 -2.818 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.842 -4.943 -12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.207 -5.029 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.561 -3.087 -13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.201 -2.962 -14.042 1.00 0.00 H new ATOM 1189 N PHE A 80 3.109 -4.146 -9.022 1.00 0.00 N ATOM 1190 CA PHE A 80 3.509 -4.844 -7.806 1.00 0.00 C ATOM 1191 C PHE A 80 3.368 -6.355 -7.980 1.00 0.00 C ATOM 1192 O PHE A 80 2.505 -6.825 -8.721 1.00 0.00 O ATOM 1193 CB PHE A 80 2.676 -4.352 -6.612 1.00 0.00 C ATOM 1194 CG PHE A 80 1.528 -5.252 -6.245 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.344 -5.217 -6.963 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.638 -6.135 -5.184 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.710 -6.047 -6.630 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.588 -6.967 -4.844 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.587 -6.923 -5.569 1.00 0.00 C ATOM 0 H PHE A 80 2.200 -3.686 -8.964 1.00 0.00 H new ATOM 0 HA PHE A 80 4.558 -4.624 -7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.330 -4.246 -5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.286 -3.360 -6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.243 -4.533 -7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.555 -6.174 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.628 -6.011 -7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.686 -7.650 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.409 -7.573 -5.307 1.00 0.00 H new ATOM 1209 N VAL A 81 4.219 -7.110 -7.293 1.00 0.00 N ATOM 1210 CA VAL A 81 4.183 -8.564 -7.375 1.00 0.00 C ATOM 1211 C VAL A 81 3.550 -9.166 -6.126 1.00 0.00 C ATOM 1212 O VAL A 81 2.823 -10.156 -6.204 1.00 0.00 O ATOM 1213 CB VAL A 81 5.594 -9.153 -7.559 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.104 -8.889 -8.967 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.550 -8.585 -6.522 1.00 0.00 C ATOM 0 H VAL A 81 4.940 -6.739 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 81 3.578 -8.818 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 81 5.538 -10.232 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.102 -9.313 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.432 -9.351 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.144 -7.814 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.542 -9.013 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.603 -7.502 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.192 -8.832 -5.523 1.00 0.00 H new ATOM 1225 N ARG A 82 3.832 -8.560 -4.976 1.00 0.00 N ATOM 1226 CA ARG A 82 3.291 -9.032 -3.704 1.00 0.00 C ATOM 1227 C ARG A 82 3.874 -8.243 -2.537 1.00 0.00 C ATOM 1228 O ARG A 82 4.863 -7.527 -2.693 1.00 0.00 O ATOM 1229 CB ARG A 82 3.583 -10.518 -3.516 1.00 0.00 C ATOM 1230 CG ARG A 82 5.044 -10.859 -3.698 1.00 0.00 C ATOM 1231 CD ARG A 82 5.236 -12.308 -4.114 1.00 0.00 C ATOM 1232 NE ARG A 82 6.424 -12.486 -4.946 1.00 0.00 N ATOM 1233 CZ ARG A 82 6.983 -13.668 -5.197 1.00 0.00 C ATOM 1234 NH1 ARG A 82 6.466 -14.777 -4.683 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.062 -13.741 -5.964 1.00 0.00 N ATOM 0 H ARG A 82 4.433 -7.740 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 82 2.212 -8.880 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.266 -10.822 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.990 -11.092 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.479 -10.203 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.580 -10.674 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.319 -12.932 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.356 -12.648 -4.661 1.00 0.00 H new ATOM 0 HE ARG A 82 6.850 -11.656 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.636 -14.727 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.899 -15.680 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.464 -12.892 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.491 -14.646 -6.157 1.00 0.00 H new ATOM 1249 N VAL A 83 3.257 -8.380 -1.368 1.00 0.00 N ATOM 1250 CA VAL A 83 3.717 -7.679 -0.177 1.00 0.00 C ATOM 1251 C VAL A 83 4.758 -8.500 0.580 1.00 0.00 C ATOM 1252 O VAL A 83 4.654 -9.723 0.671 1.00 0.00 O ATOM 1253 CB VAL A 83 2.543 -7.345 0.768 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.407 -6.686 -0.001 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.053 -8.594 1.490 1.00 0.00 C ATOM 0 H VAL A 83 2.438 -8.970 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 83 4.174 -6.749 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 83 2.902 -6.641 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.589 -6.458 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.765 -5.764 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.053 -7.363 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.226 -8.332 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.715 -9.328 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.867 -9.017 2.079 1.00 0.00 H new ATOM 1265 N VAL A 84 5.761 -7.817 1.122 1.00 0.00 N ATOM 1266 CA VAL A 84 6.821 -8.480 1.872 1.00 0.00 C ATOM 1267 C VAL A 84 6.843 -8.027 3.332 1.00 0.00 C ATOM 1268 O VAL A 84 7.474 -8.665 4.175 1.00 0.00 O ATOM 1269 CB VAL A 84 8.202 -8.215 1.239 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.512 -6.725 1.227 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.287 -8.989 1.975 1.00 0.00 C ATOM 0 H VAL A 84 5.862 -6.804 1.056 1.00 0.00 H new ATOM 0 HA VAL A 84 6.609 -9.549 1.837 1.00 0.00 H new ATOM 0 HB VAL A 84 8.178 -8.563 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.491 -6.561 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.753 -6.200 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.515 -6.346 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.254 -8.789 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.312 -8.677 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.073 -10.056 1.920 1.00 0.00 H new ATOM 1281 N LYS A 85 6.157 -6.925 3.629 1.00 0.00 N ATOM 1282 CA LYS A 85 6.111 -6.401 4.991 1.00 0.00 C ATOM 1283 C LYS A 85 4.774 -5.725 5.274 1.00 0.00 C ATOM 1284 O LYS A 85 4.087 -5.275 4.357 1.00 0.00 O ATOM 1285 CB LYS A 85 7.253 -5.408 5.221 1.00 0.00 C ATOM 1286 CG LYS A 85 8.561 -5.818 4.565 1.00 0.00 C ATOM 1287 CD LYS A 85 9.743 -5.066 5.158 1.00 0.00 C ATOM 1288 CE LYS A 85 10.983 -5.199 4.288 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.015 -6.066 4.921 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.628 -6.380 2.948 1.00 0.00 H new ATOM 0 HA LYS A 85 6.225 -7.242 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.956 -4.431 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.414 -5.295 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.711 -6.890 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.507 -5.626 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.486 -4.012 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.955 -5.449 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.704 -5.614 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.404 -4.211 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.844 -6.131 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.300 -5.657 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.622 -7.017 5.076 1.00 0.00 H new ATOM 1303 N ALA A 86 4.413 -5.657 6.552 1.00 0.00 N ATOM 1304 CA ALA A 86 3.160 -5.035 6.962 1.00 0.00 C ATOM 1305 C ALA A 86 3.236 -4.542 8.402 1.00 0.00 C ATOM 1306 O ALA A 86 3.582 -5.298 9.309 1.00 0.00 O ATOM 1307 CB ALA A 86 2.010 -6.016 6.799 1.00 0.00 C ATOM 0 H ALA A 86 4.972 -6.026 7.322 1.00 0.00 H new ATOM 0 HA ALA A 86 2.984 -4.172 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.079 -5.540 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.934 -6.317 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.191 -6.895 7.418 1.00 0.00 H new ATOM 1313 N LYS A 87 2.910 -3.271 8.606 1.00 0.00 N ATOM 1314 CA LYS A 87 2.940 -2.676 9.937 1.00 0.00 C ATOM 1315 C LYS A 87 1.696 -1.829 10.180 1.00 0.00 C ATOM 1316 O LYS A 87 1.014 -1.426 9.238 1.00 0.00 O ATOM 1317 CB LYS A 87 4.197 -1.820 10.108 1.00 0.00 C ATOM 1318 CG LYS A 87 5.489 -2.619 10.058 1.00 0.00 C ATOM 1319 CD LYS A 87 6.093 -2.614 8.664 1.00 0.00 C ATOM 1320 CE LYS A 87 7.412 -3.370 8.626 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.495 -2.633 9.334 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.621 -2.632 7.865 1.00 0.00 H new ATOM 0 HA LYS A 87 2.957 -3.483 10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.219 -1.061 9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.141 -1.294 11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.204 -2.201 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.295 -3.646 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.393 -3.066 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.252 -1.586 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.282 -4.351 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.705 -3.538 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.404 -3.111 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.546 -1.659 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.292 -2.613 10.354 1.00 0.00 H new ATOM 1335 N GLU A 88 1.404 -1.562 11.449 1.00 0.00 N ATOM 1336 CA GLU A 88 0.239 -0.763 11.813 1.00 0.00 C ATOM 1337 C GLU A 88 0.654 0.524 12.518 1.00 0.00 C ATOM 1338 O GLU A 88 1.756 0.622 13.057 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.697 -1.572 12.714 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.089 -2.919 12.129 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.942 -3.739 13.076 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -1.702 -3.673 14.300 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -2.851 -4.448 12.594 1.00 0.00 O ATOM 0 H GLU A 88 1.957 -1.887 12.242 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.286 -0.497 10.896 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.213 -1.731 13.678 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.599 -0.990 12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.634 -2.762 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.188 -3.479 11.880 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.238 1.509 12.508 1.00 0.00 N ATOM 1351 CA GLN A 89 0.029 2.794 13.145 1.00 0.00 C ATOM 1352 C GLN A 89 -1.268 3.566 13.367 1.00 0.00 C ATOM 1353 O GLN A 89 -2.167 3.540 12.527 1.00 0.00 O ATOM 1354 CB GLN A 89 0.991 3.621 12.290 1.00 0.00 C ATOM 1355 CG GLN A 89 1.331 4.975 12.891 1.00 0.00 C ATOM 1356 CD GLN A 89 2.685 4.986 13.573 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.570 5.761 13.209 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.854 4.124 14.569 1.00 0.00 N ATOM 0 H GLN A 89 -1.154 1.442 12.065 1.00 0.00 H new ATOM 0 HA GLN A 89 0.490 2.605 14.114 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.912 3.056 12.145 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.550 3.771 11.304 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.318 5.731 12.106 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.562 5.252 13.613 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.093 3.500 14.838 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.744 4.086 15.065 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.359 4.251 14.502 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.549 5.027 14.831 1.00 0.00 C ATOM 1369 C VAL A 90 -2.275 6.524 14.743 1.00 0.00 C ATOM 1370 O VAL A 90 -1.401 7.048 15.434 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.065 4.694 16.244 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.414 5.352 16.488 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.155 3.188 16.438 1.00 0.00 C ATOM 0 H VAL A 90 -0.624 4.285 15.209 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.311 4.757 14.100 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.357 5.089 16.973 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.763 5.106 17.491 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.314 6.433 16.394 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.134 4.989 15.754 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.521 2.972 17.442 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.841 2.767 15.703 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.168 2.745 16.309 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.031 7.207 13.890 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.877 8.646 13.709 1.00 0.00 C ATOM 1385 C VAL A 91 -4.129 9.253 13.084 1.00 0.00 C ATOM 1386 O VAL A 91 -4.298 9.233 11.865 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.663 8.976 12.821 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.367 8.798 13.598 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.665 8.114 11.568 1.00 0.00 C ATOM 0 H VAL A 91 -3.758 6.786 13.312 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.719 9.075 14.698 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.735 10.020 12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.479 9.036 12.953 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.365 9.465 14.460 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.285 7.766 13.938 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.799 8.363 10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.620 7.062 11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.577 8.299 11.001 1.00 0.00 H new ATOM 1399 N SER A 92 -5.006 9.788 13.928 1.00 0.00 N ATOM 1400 CA SER A 92 -6.245 10.396 13.457 1.00 0.00 C ATOM 1401 C SER A 92 -7.114 9.369 12.736 1.00 0.00 C ATOM 1402 O SER A 92 -7.926 9.719 11.880 1.00 0.00 O ATOM 1403 CB SER A 92 -5.941 11.569 12.524 1.00 0.00 C ATOM 1404 OG SER A 92 -5.226 12.588 13.202 1.00 0.00 O ATOM 0 H SER A 92 -4.882 9.813 14.940 1.00 0.00 H new ATOM 0 HA SER A 92 -6.792 10.765 14.325 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.360 11.218 11.671 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.873 11.975 12.129 1.00 0.00 H new ATOM 0 HG SER A 92 -5.042 13.326 12.584 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.935 8.099 13.087 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.707 7.041 12.465 1.00 0.00 C ATOM 1412 C GLY A 93 -6.971 5.716 12.469 1.00 0.00 C ATOM 1413 O GLY A 93 -6.723 5.140 13.528 1.00 0.00 O ATOM 0 H GLY A 93 -6.268 7.785 13.792 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.656 6.929 12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.942 7.321 11.438 1.00 0.00 H new ATOM 1417 N MET A 94 -6.619 5.232 11.283 1.00 0.00 N ATOM 1418 CA MET A 94 -5.905 3.968 11.156 1.00 0.00 C ATOM 1419 C MET A 94 -4.930 4.007 9.984 1.00 0.00 C ATOM 1420 O MET A 94 -5.338 4.106 8.827 1.00 0.00 O ATOM 1421 CB MET A 94 -6.895 2.816 10.972 1.00 0.00 C ATOM 1422 CG MET A 94 -7.724 2.522 12.212 1.00 0.00 C ATOM 1423 SD MET A 94 -6.804 1.607 13.463 1.00 0.00 S ATOM 1424 CE MET A 94 -6.938 2.717 14.862 1.00 0.00 C ATOM 0 H MET A 94 -6.817 5.696 10.396 1.00 0.00 H new ATOM 0 HA MET A 94 -5.336 3.808 12.072 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.565 3.052 10.145 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.346 1.917 10.691 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.076 3.461 12.640 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.607 1.951 11.926 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.047 2.136 15.778 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.040 3.331 14.927 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.809 3.360 14.734 1.00 0.00 H new ATOM 1434 N MET A 95 -3.640 3.927 10.293 1.00 0.00 N ATOM 1435 CA MET A 95 -2.604 3.950 9.266 1.00 0.00 C ATOM 1436 C MET A 95 -1.883 2.608 9.199 1.00 0.00 C ATOM 1437 O MET A 95 -1.595 1.996 10.227 1.00 0.00 O ATOM 1438 CB MET A 95 -1.600 5.071 9.547 1.00 0.00 C ATOM 1439 CG MET A 95 -1.148 5.808 8.296 1.00 0.00 C ATOM 1440 SD MET A 95 -0.097 7.225 8.666 1.00 0.00 S ATOM 1441 CE MET A 95 -1.208 8.579 8.289 1.00 0.00 C ATOM 0 H MET A 95 -3.287 3.846 11.246 1.00 0.00 H new ATOM 0 HA MET A 95 -3.081 4.137 8.304 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.049 5.785 10.238 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.727 4.650 10.046 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.607 5.118 7.648 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.024 6.145 7.741 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.633 9.495 8.156 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.754 8.357 7.372 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.914 8.709 9.109 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.596 2.153 7.983 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.913 0.880 7.787 1.00 0.00 C ATOM 1453 C HIS A 96 0.329 1.051 6.919 1.00 0.00 C ATOM 1454 O HIS A 96 0.244 1.503 5.777 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.860 -0.137 7.147 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.547 -1.556 7.508 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.481 -2.004 8.811 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.282 -2.631 6.728 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.187 -3.293 8.816 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.062 -3.697 7.566 1.00 0.00 N ATOM 0 H HIS A 96 -1.826 2.646 7.120 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.600 0.513 8.764 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.882 0.090 7.450 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.818 -0.029 6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.250 -2.647 5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.069 -3.911 9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.838 -4.647 7.270 1.00 0.00 H new ATOM 1469 N TYR A 97 1.481 0.679 7.467 1.00 0.00 N ATOM 1470 CA TYR A 97 2.743 0.783 6.744 1.00 0.00 C ATOM 1471 C TYR A 97 3.165 -0.583 6.214 1.00 0.00 C ATOM 1472 O TYR A 97 3.798 -1.366 6.922 1.00 0.00 O ATOM 1473 CB TYR A 97 3.833 1.351 7.656 1.00 0.00 C ATOM 1474 CG TYR A 97 3.650 2.817 7.981 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.473 3.281 8.555 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.656 3.738 7.714 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.303 4.620 8.853 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.494 5.078 8.010 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.316 5.514 8.579 1.00 0.00 C ATOM 1480 OH TYR A 97 3.151 6.847 8.875 1.00 0.00 O ATOM 0 H TYR A 97 1.567 0.302 8.411 1.00 0.00 H new ATOM 0 HA TYR A 97 2.603 1.459 5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.850 0.781 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.803 1.212 7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.677 2.584 8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.580 3.401 7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.381 4.964 9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.286 5.780 7.797 1.00 0.00 H new ATOM 0 HH TYR A 97 2.197 7.071 8.855 1.00 0.00 H new ATOM 1490 N LEU A 98 2.801 -0.868 4.968 1.00 0.00 N ATOM 1491 CA LEU A 98 3.132 -2.147 4.349 1.00 0.00 C ATOM 1492 C LEU A 98 4.106 -1.969 3.190 1.00 0.00 C ATOM 1493 O LEU A 98 4.008 -1.012 2.422 1.00 0.00 O ATOM 1494 CB LEU A 98 1.861 -2.837 3.853 1.00 0.00 C ATOM 1495 CG LEU A 98 1.159 -2.135 2.688 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.798 -3.134 1.599 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -0.082 -1.402 3.175 1.00 0.00 C ATOM 0 H LEU A 98 2.277 -0.231 4.367 1.00 0.00 H new ATOM 0 HA LEU A 98 3.612 -2.768 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.112 -3.853 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.161 -2.918 4.684 1.00 0.00 H new ATOM 0 HG LEU A 98 1.846 -1.402 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.300 -2.615 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.705 -3.611 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.130 -3.892 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.567 -0.909 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.772 -2.115 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.204 -0.656 3.916 1.00 0.00 H new ATOM 1509 N THR A 99 5.041 -2.905 3.066 1.00 0.00 N ATOM 1510 CA THR A 99 6.028 -2.863 1.995 1.00 0.00 C ATOM 1511 C THR A 99 5.786 -3.995 1.005 1.00 0.00 C ATOM 1512 O THR A 99 5.505 -5.125 1.402 1.00 0.00 O ATOM 1513 CB THR A 99 7.441 -2.965 2.571 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.507 -2.355 3.848 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.493 -2.318 1.697 1.00 0.00 C ATOM 0 H THR A 99 5.135 -3.702 3.695 1.00 0.00 H new ATOM 0 HA THR A 99 5.929 -1.912 1.472 1.00 0.00 H new ATOM 0 HB THR A 99 7.651 -4.033 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.418 -2.432 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.472 -2.427 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.502 -2.801 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.264 -1.259 1.576 1.00 0.00 H new ATOM 1523 N VAL A 100 5.888 -3.688 -0.284 1.00 0.00 N ATOM 1524 CA VAL A 100 5.670 -4.691 -1.318 1.00 0.00 C ATOM 1525 C VAL A 100 6.721 -4.590 -2.421 1.00 0.00 C ATOM 1526 O VAL A 100 7.374 -3.559 -2.580 1.00 0.00 O ATOM 1527 CB VAL A 100 4.258 -4.567 -1.935 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.212 -4.387 -0.844 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.191 -3.418 -2.934 1.00 0.00 C ATOM 0 H VAL A 100 6.119 -2.759 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 100 5.758 -5.665 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 100 4.045 -5.491 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.224 -4.301 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.231 -5.248 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.430 -3.482 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.186 -3.356 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.433 -2.483 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.907 -3.592 -3.737 1.00 0.00 H new ATOM 1539 N GLU A 101 6.873 -5.669 -3.183 1.00 0.00 N ATOM 1540 CA GLU A 101 7.838 -5.703 -4.275 1.00 0.00 C ATOM 1541 C GLU A 101 7.200 -5.210 -5.568 1.00 0.00 C ATOM 1542 O GLU A 101 6.074 -5.584 -5.898 1.00 0.00 O ATOM 1543 CB GLU A 101 8.375 -7.123 -4.465 1.00 0.00 C ATOM 1544 CG GLU A 101 9.609 -7.424 -3.630 1.00 0.00 C ATOM 1545 CD GLU A 101 9.931 -8.904 -3.579 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.140 -9.664 -2.983 1.00 0.00 O ATOM 1547 OE2 GLU A 101 10.975 -9.304 -4.136 1.00 0.00 O1- ATOM 0 H GLU A 101 6.340 -6.531 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 101 8.667 -5.043 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.591 -7.836 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.613 -7.275 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.462 -6.884 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.456 -7.054 -2.616 1.00 0.00 H new ATOM 1554 N VAL A 102 7.921 -4.363 -6.294 1.00 0.00 N ATOM 1555 CA VAL A 102 7.417 -3.816 -7.547 1.00 0.00 C ATOM 1556 C VAL A 102 8.374 -4.094 -8.701 1.00 0.00 C ATOM 1557 O VAL A 102 9.586 -4.195 -8.507 1.00 0.00 O ATOM 1558 CB VAL A 102 7.186 -2.297 -7.443 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.441 -1.784 -8.665 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.430 -1.958 -6.167 1.00 0.00 C ATOM 0 H VAL A 102 8.854 -4.041 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 102 6.466 -4.311 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 102 8.157 -1.803 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.287 -0.709 -8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.026 -1.991 -9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.475 -2.284 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.276 -0.880 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.464 -2.463 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.008 -2.288 -5.303 1.00 0.00 H new ATOM 1570 N ASN A 103 7.819 -4.215 -9.903 1.00 0.00 N ATOM 1571 CA ASN A 103 8.618 -4.479 -11.093 1.00 0.00 C ATOM 1572 C ASN A 103 8.303 -3.467 -12.191 1.00 0.00 C ATOM 1573 O ASN A 103 7.166 -3.012 -12.321 1.00 0.00 O ATOM 1574 CB ASN A 103 8.361 -5.898 -11.601 1.00 0.00 C ATOM 1575 CG ASN A 103 9.301 -6.289 -12.725 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.293 -5.683 -13.796 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.119 -7.308 -12.485 1.00 0.00 N ATOM 0 H ASN A 103 6.817 -4.134 -10.078 1.00 0.00 H new ATOM 0 HA ASN A 103 9.670 -4.383 -10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.473 -6.602 -10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.331 -5.975 -11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.774 -7.616 -13.203 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.092 -7.782 -11.582 1.00 0.00 H new ATOM 1584 N ASP A 104 9.316 -3.119 -12.978 1.00 0.00 N ATOM 1585 CA ASP A 104 9.145 -2.160 -14.063 1.00 0.00 C ATOM 1586 C ASP A 104 10.072 -2.484 -15.231 1.00 0.00 C ATOM 1587 O ASP A 104 11.280 -2.259 -15.158 1.00 0.00 O ATOM 1588 CB ASP A 104 9.414 -0.740 -13.563 1.00 0.00 C ATOM 1589 CG ASP A 104 8.621 0.302 -14.327 1.00 0.00 C ATOM 1590 OD1 ASP A 104 7.485 -0.005 -14.746 1.00 0.00 O ATOM 1591 OD2 ASP A 104 9.136 1.426 -14.507 1.00 0.00 O1- ATOM 0 H ASP A 104 10.263 -3.486 -12.885 1.00 0.00 H new ATOM 0 HA ASP A 104 8.115 -2.227 -14.413 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.165 -0.677 -12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.478 -0.521 -13.654 1.00 0.00 H new ATOM 1596 N ALA A 105 9.497 -3.012 -16.307 1.00 0.00 N ATOM 1597 CA ALA A 105 10.270 -3.366 -17.492 1.00 0.00 C ATOM 1598 C ALA A 105 11.396 -4.335 -17.148 1.00 0.00 C ATOM 1599 O ALA A 105 12.443 -4.341 -17.795 1.00 0.00 O ATOM 1600 CB ALA A 105 10.832 -2.113 -18.147 1.00 0.00 C ATOM 0 H ALA A 105 8.498 -3.204 -16.383 1.00 0.00 H new ATOM 0 HA ALA A 105 9.602 -3.864 -18.195 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.407 -2.391 -19.030 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.013 -1.456 -18.439 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.480 -1.593 -17.441 1.00 0.00 H new ATOM 1606 N GLY A 106 11.174 -5.154 -16.126 1.00 0.00 N ATOM 1607 CA GLY A 106 12.180 -6.116 -15.715 1.00 0.00 C ATOM 1608 C GLY A 106 12.875 -5.716 -14.428 1.00 0.00 C ATOM 1609 O GLY A 106 13.355 -6.570 -13.683 1.00 0.00 O ATOM 0 H GLY A 106 10.316 -5.169 -15.575 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.713 -7.092 -15.583 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.922 -6.222 -16.507 1.00 0.00 H new ATOM 1613 N LYS A 107 12.930 -4.414 -14.167 1.00 0.00 N ATOM 1614 CA LYS A 107 13.573 -3.904 -12.961 1.00 0.00 C ATOM 1615 C LYS A 107 12.765 -4.269 -11.720 1.00 0.00 C ATOM 1616 O LYS A 107 11.678 -3.735 -11.496 1.00 0.00 O ATOM 1617 CB LYS A 107 13.738 -2.386 -13.049 1.00 0.00 C ATOM 1618 CG LYS A 107 15.035 -1.952 -13.712 1.00 0.00 C ATOM 1619 CD LYS A 107 14.951 -0.521 -14.218 1.00 0.00 C ATOM 1620 CE LYS A 107 15.151 0.480 -13.091 1.00 0.00 C ATOM 1621 NZ LYS A 107 16.587 0.827 -12.905 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.538 -3.694 -14.773 1.00 0.00 H new ATOM 0 HA LYS A 107 14.558 -4.365 -12.880 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.898 -1.969 -13.605 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.695 -1.965 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.856 -2.040 -13.000 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.261 -2.620 -14.543 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.707 -0.361 -14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.980 -0.355 -14.685 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.583 1.386 -13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.754 0.067 -12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.681 1.512 -12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.125 -0.033 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 16.959 1.245 -13.781 1.00 0.00 H new ATOM 1635 N LYS A 108 13.302 -5.181 -10.918 1.00 0.00 N ATOM 1636 CA LYS A 108 12.630 -5.619 -9.699 1.00 0.00 C ATOM 1637 C LYS A 108 13.215 -4.922 -8.475 1.00 0.00 C ATOM 1638 O LYS A 108 14.432 -4.785 -8.349 1.00 0.00 O ATOM 1639 CB LYS A 108 12.750 -7.136 -9.544 1.00 0.00 C ATOM 1640 CG LYS A 108 12.054 -7.679 -8.307 1.00 0.00 C ATOM 1641 CD LYS A 108 10.671 -8.218 -8.637 1.00 0.00 C ATOM 1642 CE LYS A 108 9.824 -8.381 -7.385 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.820 -9.788 -6.897 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.201 -5.632 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 108 11.576 -5.351 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.330 -7.617 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.805 -7.406 -9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.659 -8.472 -7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.969 -6.890 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.171 -7.541 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.765 -9.179 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.205 -7.726 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.802 -8.066 -7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.288 -9.845 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.371 -10.401 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.798 -10.103 -6.737 1.00 0.00 H new ATOM 1657 N LYS A 109 12.341 -4.486 -7.574 1.00 0.00 N ATOM 1658 CA LYS A 109 12.773 -3.804 -6.359 1.00 0.00 C ATOM 1659 C LYS A 109 11.684 -3.848 -5.292 1.00 0.00 C ATOM 1660 O LYS A 109 10.559 -4.273 -5.554 1.00 0.00 O ATOM 1661 CB LYS A 109 13.141 -2.352 -6.667 1.00 0.00 C ATOM 1662 CG LYS A 109 14.599 -2.163 -7.054 1.00 0.00 C ATOM 1663 CD LYS A 109 15.125 -0.811 -6.602 1.00 0.00 C ATOM 1664 CE LYS A 109 15.074 0.211 -7.726 1.00 0.00 C ATOM 1665 NZ LYS A 109 14.769 1.578 -7.221 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.330 -4.592 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 109 13.652 -4.322 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.509 -1.990 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.923 -1.737 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.200 -2.956 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.704 -2.252 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.536 -0.454 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 109 16.152 -0.917 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.030 0.222 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.317 -0.085 -8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.743 2.245 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.845 1.574 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.505 1.872 -6.548 1.00 0.00 H new ATOM 1679 N LEU A 110 12.028 -3.404 -4.087 1.00 0.00 N ATOM 1680 CA LEU A 110 11.082 -3.390 -2.977 1.00 0.00 C ATOM 1681 C LEU A 110 10.775 -1.958 -2.550 1.00 0.00 C ATOM 1682 O LEU A 110 11.674 -1.208 -2.169 1.00 0.00 O ATOM 1683 CB LEU A 110 11.642 -4.186 -1.793 1.00 0.00 C ATOM 1684 CG LEU A 110 10.902 -3.995 -0.466 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.406 -4.191 -0.654 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.439 -4.954 0.586 1.00 0.00 C ATOM 0 H LEU A 110 12.956 -3.049 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 110 10.155 -3.857 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.627 -5.245 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.686 -3.908 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 110 11.072 -2.975 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.898 -4.051 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.031 -3.464 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.215 -5.199 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.902 -4.805 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.299 -5.981 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.501 -4.765 0.743 1.00 0.00 H new ATOM 1698 N TYR A 111 9.501 -1.585 -2.615 1.00 0.00 N ATOM 1699 CA TYR A 111 9.078 -0.243 -2.234 1.00 0.00 C ATOM 1700 C TYR A 111 8.073 -0.292 -1.087 1.00 0.00 C ATOM 1701 O TYR A 111 7.206 -1.166 -1.043 1.00 0.00 O ATOM 1702 CB TYR A 111 8.467 0.482 -3.436 1.00 0.00 C ATOM 1703 CG TYR A 111 9.302 0.390 -4.697 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.690 0.331 -4.639 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.698 0.365 -5.948 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.450 0.250 -5.790 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.452 0.283 -7.104 1.00 0.00 C ATOM 1708 CZ TYR A 111 10.827 0.226 -7.019 1.00 0.00 C ATOM 1709 OH TYR A 111 11.580 0.145 -8.168 1.00 0.00 O ATOM 0 H TYR A 111 8.744 -2.193 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 111 9.957 0.306 -1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.479 0.067 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.326 1.532 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.182 0.349 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.621 0.410 -6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.527 0.206 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.966 0.264 -8.069 1.00 0.00 H new ATOM 0 HH TYR A 111 10.987 0.137 -8.948 1.00 0.00 H new ATOM 1719 N GLU A 112 8.198 0.652 -0.159 1.00 0.00 N ATOM 1720 CA GLU A 112 7.304 0.719 0.992 1.00 0.00 C ATOM 1721 C GLU A 112 6.102 1.611 0.699 1.00 0.00 C ATOM 1722 O GLU A 112 6.225 2.637 0.028 1.00 0.00 O ATOM 1723 CB GLU A 112 8.056 1.244 2.216 1.00 0.00 C ATOM 1724 CG GLU A 112 7.595 0.623 3.525 1.00 0.00 C ATOM 1725 CD GLU A 112 6.782 1.583 4.372 1.00 0.00 C ATOM 1726 OE1 GLU A 112 5.651 1.922 3.966 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 7.278 1.996 5.442 1.00 0.00 O ATOM 0 H GLU A 112 8.910 1.382 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 112 6.943 -0.288 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.121 1.052 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.931 2.325 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.997 -0.263 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.465 0.292 4.092 1.00 0.00 H new ATOM 1734 N ALA A 113 4.940 1.213 1.207 1.00 0.00 N ATOM 1735 CA ALA A 113 3.712 1.974 1.002 1.00 0.00 C ATOM 1736 C ALA A 113 2.929 2.111 2.303 1.00 0.00 C ATOM 1737 O ALA A 113 2.677 1.123 2.994 1.00 0.00 O ATOM 1738 CB ALA A 113 2.852 1.310 -0.063 1.00 0.00 C ATOM 0 H ALA A 113 4.823 0.367 1.764 1.00 0.00 H new ATOM 0 HA ALA A 113 3.985 2.974 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.939 1.888 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.404 1.266 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.596 0.299 0.254 1.00 0.00 H new ATOM 1744 N LYS A 114 2.540 3.340 2.631 1.00 0.00 N ATOM 1745 CA LYS A 114 1.779 3.596 3.850 1.00 0.00 C ATOM 1746 C LYS A 114 0.418 4.200 3.523 1.00 0.00 C ATOM 1747 O LYS A 114 0.329 5.286 2.952 1.00 0.00 O ATOM 1748 CB LYS A 114 2.554 4.524 4.787 1.00 0.00 C ATOM 1749 CG LYS A 114 2.971 5.830 4.139 1.00 0.00 C ATOM 1750 CD LYS A 114 4.256 6.370 4.748 1.00 0.00 C ATOM 1751 CE LYS A 114 5.479 5.669 4.179 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.740 6.376 4.536 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.738 4.170 2.073 1.00 0.00 H new ATOM 0 HA LYS A 114 1.623 2.642 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.939 4.741 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.443 4.005 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.110 5.678 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.175 6.565 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.328 7.441 4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.230 6.239 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.518 4.646 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.391 5.609 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.551 5.867 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.714 7.344 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.837 6.411 5.571 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.641 3.484 3.888 1.00 0.00 N ATOM 1767 CA VAL A 115 -2.002 3.943 3.633 1.00 0.00 C ATOM 1768 C VAL A 115 -2.674 4.414 4.920 1.00 0.00 C ATOM 1769 O VAL A 115 -2.371 3.922 6.007 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.857 2.833 2.990 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -2.957 1.627 3.914 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -4.240 3.359 2.634 1.00 0.00 C ATOM 0 H VAL A 115 -0.583 2.583 4.362 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.931 4.781 2.940 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.368 2.514 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.565 0.856 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.959 1.234 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.419 1.927 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.828 2.560 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.739 3.710 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.145 4.184 1.928 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.587 5.370 4.788 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.302 5.910 5.940 1.00 0.00 C ATOM 1784 C TRP A 116 -5.811 5.817 5.737 1.00 0.00 C ATOM 1785 O TRP A 116 -6.312 6.007 4.628 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.896 7.364 6.178 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.517 7.969 7.401 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.452 7.490 8.678 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.297 9.168 7.460 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.144 8.320 9.527 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.672 9.357 8.803 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.715 10.101 6.506 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.443 10.440 9.215 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.481 11.176 6.917 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.838 11.338 8.261 1.00 0.00 C ATOM 0 H TRP A 116 -3.850 5.787 3.895 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.036 5.316 6.814 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.811 7.419 6.267 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.176 7.957 5.308 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -3.933 6.591 8.977 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.248 8.186 10.533 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.444 9.984 5.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.720 10.567 10.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.810 11.903 6.189 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.437 12.189 8.551 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.529 5.523 6.818 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.981 5.404 6.764 1.00 0.00 C ATOM 1808 C GLU A 117 -8.604 5.738 8.117 1.00 0.00 C ATOM 1809 O GLU A 117 -8.238 5.158 9.139 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.381 3.988 6.341 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.884 3.758 6.319 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.370 2.968 7.518 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.648 2.930 8.536 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -11.474 2.387 7.438 1.00 0.00 O1- ATOM 0 H GLU A 117 -6.127 5.363 7.742 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.353 6.115 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.977 3.787 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.923 3.272 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.395 4.720 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.153 3.228 5.406 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.545 6.678 8.116 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.216 7.089 9.341 1.00 0.00 C ATOM 1823 C GLN A 118 -11.576 6.409 9.471 1.00 0.00 C ATOM 1824 O GLN A 118 -12.015 5.700 8.565 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.390 8.608 9.363 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.200 9.369 8.801 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.317 9.616 7.310 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.241 10.287 6.851 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.376 9.073 6.545 1.00 0.00 N ATOM 0 H GLN A 118 -9.859 7.169 7.279 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.597 6.787 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.280 8.871 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.563 8.930 10.390 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.108 10.324 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.287 8.808 9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.628 8.524 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.402 9.205 5.534 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.237 6.631 10.602 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.547 6.041 10.851 1.00 0.00 C ATOM 1840 C VAL A 119 -14.621 7.118 10.966 1.00 0.00 C ATOM 1841 O VAL A 119 -15.752 6.933 10.515 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.543 5.189 12.136 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.211 6.046 13.349 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.882 4.488 12.319 1.00 0.00 C ATOM 0 H VAL A 119 -11.887 7.215 11.361 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.774 5.398 10.001 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.770 4.426 12.038 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.214 5.425 14.245 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.225 6.493 13.220 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.956 6.835 13.452 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.859 3.892 13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.675 5.232 12.392 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.072 3.837 11.465 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.259 8.245 11.571 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.191 9.354 11.745 1.00 0.00 C ATOM 1856 C TRP A 120 -15.227 10.242 10.503 1.00 0.00 C ATOM 1857 O TRP A 120 -16.190 10.976 10.283 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.799 10.187 12.966 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.394 10.703 12.904 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.964 11.837 12.278 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.234 10.101 13.488 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.607 11.978 12.439 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.136 10.925 13.177 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.017 8.945 14.244 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.842 10.630 13.597 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.732 8.653 14.659 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.659 9.493 14.335 1.00 0.00 C ATOM 0 H TRP A 120 -13.327 8.414 11.949 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.186 8.936 11.898 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.485 11.029 13.058 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.917 9.581 13.864 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.598 12.523 11.736 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -11.042 12.743 12.069 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.839 8.292 14.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.012 11.276 13.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.552 7.762 15.243 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.666 9.238 14.675 1.00 0.00 H new ATOM 1878 N MET A 121 -14.175 10.168 9.693 1.00 0.00 N ATOM 1879 CA MET A 121 -14.092 10.964 8.474 1.00 0.00 C ATOM 1880 C MET A 121 -14.517 10.141 7.262 1.00 0.00 C ATOM 1881 O MET A 121 -14.955 10.687 6.250 1.00 0.00 O ATOM 1882 CB MET A 121 -12.668 11.487 8.278 1.00 0.00 C ATOM 1883 CG MET A 121 -12.501 12.348 7.035 1.00 0.00 C ATOM 1884 SD MET A 121 -12.147 14.073 7.422 1.00 0.00 S ATOM 1885 CE MET A 121 -10.604 14.307 6.542 1.00 0.00 C ATOM 0 H MET A 121 -13.369 9.565 9.859 1.00 0.00 H new ATOM 0 HA MET A 121 -14.771 11.811 8.573 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.380 12.068 9.154 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.984 10.640 8.218 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.693 11.944 6.425 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.410 12.294 6.436 1.00 0.00 H new ATOM 0 HE1 MET A 121 -10.255 15.330 6.685 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.857 13.612 6.926 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.760 14.122 5.479 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.384 8.822 7.374 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.752 7.920 6.292 1.00 0.00 C ATOM 1897 C ASN A 122 -13.901 8.181 5.053 1.00 0.00 C ATOM 1898 O ASN A 122 -14.402 8.170 3.928 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.236 8.075 5.951 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.120 7.183 6.800 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.975 7.286 8.116 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.925 6.411 6.279 1.00 0.00 N flip ATOM 0 H ASN A 122 -14.023 8.355 8.206 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.570 6.899 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.532 9.115 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.391 7.839 4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -18.003 6.365 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.514 5.818 6.863 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.611 8.415 5.268 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.688 8.678 4.171 1.00 0.00 C ATOM 1911 C PHE A 123 -10.496 7.728 4.226 1.00 0.00 C ATOM 1912 O PHE A 123 -9.964 7.445 5.300 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.205 10.129 4.220 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.195 10.804 2.878 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.458 10.278 1.829 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.922 11.965 2.667 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.447 10.897 0.593 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.914 12.588 1.434 1.00 0.00 C ATOM 1919 CZ PHE A 123 -11.176 12.054 0.396 1.00 0.00 C ATOM 0 H PHE A 123 -12.181 8.428 6.193 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.218 8.512 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.846 10.694 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.199 10.154 4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.886 9.374 1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.501 12.387 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.870 10.477 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.485 13.492 1.282 1.00 0.00 H new ATOM 0 HZ PHE A 123 -11.169 12.540 -0.568 1.00 0.00 H new ATOM 1929 N ARG A 124 -10.080 7.241 3.061 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.951 6.323 2.975 1.00 0.00 C ATOM 1931 C ARG A 124 -8.158 6.557 1.694 1.00 0.00 C ATOM 1932 O ARG A 124 -8.723 6.590 0.601 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.438 4.874 3.029 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.526 4.560 2.016 1.00 0.00 C ATOM 1935 CD ARG A 124 -11.903 4.925 2.546 1.00 0.00 C ATOM 1936 NE ARG A 124 -12.762 5.482 1.504 1.00 0.00 N ATOM 1937 CZ ARG A 124 -13.320 4.757 0.537 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -13.114 3.447 0.477 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -14.088 5.343 -0.371 1.00 0.00 N ATOM 0 H ARG A 124 -10.508 7.467 2.163 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.297 6.510 3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.592 4.208 2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.813 4.663 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.334 5.107 1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.500 3.499 1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -12.375 4.038 2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.800 5.648 3.355 1.00 0.00 H new ATOM 0 HE ARG A 124 -12.945 6.485 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.526 2.991 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -13.544 2.897 -0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -14.251 6.349 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -14.516 4.788 -1.112 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.846 6.721 1.834 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.982 6.953 0.681 1.00 0.00 C ATOM 1955 C GLN A 125 -4.521 6.688 1.027 1.00 0.00 C ATOM 1956 O GLN A 125 -4.177 6.460 2.187 1.00 0.00 O ATOM 1957 CB GLN A 125 -6.145 8.388 0.177 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.703 9.439 1.182 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.641 10.630 1.231 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.557 10.747 0.417 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.416 11.522 2.189 1.00 0.00 N ATOM 0 H GLN A 125 -6.359 6.698 2.730 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.279 6.260 -0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.569 8.510 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.191 8.558 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.643 8.987 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.700 9.781 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.645 11.385 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.014 12.344 2.271 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.664 6.723 0.011 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.237 6.490 0.204 1.00 0.00 C ATOM 1972 C LEU A 126 -1.563 7.728 0.786 1.00 0.00 C ATOM 1973 O LEU A 126 -1.860 8.855 0.388 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.578 6.107 -1.124 1.00 0.00 C ATOM 1975 CG LEU A 126 -0.046 6.051 -1.101 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.456 4.778 -1.765 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.542 7.277 -1.784 1.00 0.00 C ATOM 0 H LEU A 126 -3.933 6.911 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.116 5.667 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.957 5.132 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.888 6.823 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 126 0.281 6.045 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.545 4.759 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.064 3.911 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.119 4.751 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.630 7.221 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.205 7.313 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.213 8.176 -1.264 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.656 7.512 1.732 1.00 0.00 N ATOM 1990 CA GLN A 127 0.058 8.610 2.371 1.00 0.00 C ATOM 1991 C GLN A 127 1.402 8.856 1.695 1.00 0.00 C ATOM 1992 O GLN A 127 1.651 9.938 1.164 1.00 0.00 O ATOM 1993 CB GLN A 127 0.265 8.314 3.859 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.741 9.008 4.765 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.167 8.890 4.261 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.949 9.836 4.352 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.513 7.724 3.726 1.00 0.00 N ATOM 0 H GLN A 127 -0.398 6.586 2.073 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.547 9.511 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.203 7.238 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.271 8.621 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.678 8.580 5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.478 10.062 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.832 6.966 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.459 7.587 3.371 1.00 0.00 H new ATOM 2006 N GLU A 128 2.267 7.847 1.721 1.00 0.00 N ATOM 2007 CA GLU A 128 3.587 7.964 1.111 1.00 0.00 C ATOM 2008 C GLU A 128 4.045 6.634 0.521 1.00 0.00 C ATOM 2009 O GLU A 128 3.583 5.564 0.927 1.00 0.00 O ATOM 2010 CB GLU A 128 4.613 8.454 2.137 1.00 0.00 C ATOM 2011 CG GLU A 128 4.060 9.466 3.129 1.00 0.00 C ATOM 2012 CD GLU A 128 3.859 10.837 2.512 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.753 11.289 1.766 1.00 0.00 O ATOM 2014 OE2 GLU A 128 2.808 11.458 2.775 1.00 0.00 O1- ATOM 0 H GLU A 128 2.079 6.944 2.156 1.00 0.00 H new ATOM 0 HA GLU A 128 3.512 8.692 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.000 7.596 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.455 8.901 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.109 9.104 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.741 9.549 3.976 1.00 0.00 H new ATOM 2021 N PHE A 129 4.963 6.715 -0.436 1.00 0.00 N ATOM 2022 CA PHE A 129 5.505 5.531 -1.091 1.00 0.00 C ATOM 2023 C PHE A 129 7.011 5.672 -1.280 1.00 0.00 C ATOM 2024 O PHE A 129 7.471 6.468 -2.099 1.00 0.00 O ATOM 2025 CB PHE A 129 4.826 5.317 -2.446 1.00 0.00 C ATOM 2026 CG PHE A 129 4.806 3.882 -2.890 1.00 0.00 C ATOM 2027 CD1 PHE A 129 5.845 3.362 -3.645 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.746 3.054 -2.556 1.00 0.00 C ATOM 2029 CE1 PHE A 129 5.828 2.043 -4.057 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.723 1.735 -2.966 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.765 1.228 -3.717 1.00 0.00 C ATOM 0 H PHE A 129 5.349 7.595 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 129 5.310 4.666 -0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.802 5.686 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.340 5.914 -3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.678 3.995 -3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 129 2.928 3.445 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.645 1.650 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 129 2.891 1.101 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.749 0.197 -4.038 1.00 0.00 H new ATOM 2041 N THR A 130 7.776 4.903 -0.512 1.00 0.00 N ATOM 2042 CA THR A 130 9.232 4.953 -0.593 1.00 0.00 C ATOM 2043 C THR A 130 9.770 3.814 -1.450 1.00 0.00 C ATOM 2044 O THR A 130 9.162 2.748 -1.536 1.00 0.00 O ATOM 2045 CB THR A 130 9.843 4.887 0.807 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.784 3.567 1.318 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.158 5.796 1.804 1.00 0.00 C ATOM 0 H THR A 130 7.413 4.239 0.172 1.00 0.00 H new ATOM 0 HA THR A 130 9.512 5.897 -1.061 1.00 0.00 H new ATOM 0 HB THR A 130 10.874 5.219 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.181 3.545 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.641 5.700 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.230 6.829 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.108 5.515 1.891 1.00 0.00 H new ATOM 2055 N TYR A 131 10.915 4.046 -2.083 1.00 0.00 N ATOM 2056 CA TYR A 131 11.535 3.038 -2.935 1.00 0.00 C ATOM 2057 C TYR A 131 12.801 2.484 -2.290 1.00 0.00 C ATOM 2058 O TYR A 131 13.829 3.159 -2.237 1.00 0.00 O ATOM 2059 CB TYR A 131 11.864 3.630 -4.306 1.00 0.00 C ATOM 2060 CG TYR A 131 12.603 4.947 -4.236 1.00 0.00 C ATOM 2061 CD1 TYR A 131 11.913 6.147 -4.108 1.00 0.00 C ATOM 2062 CD2 TYR A 131 13.990 4.991 -4.298 1.00 0.00 C ATOM 2063 CE1 TYR A 131 12.585 7.353 -4.044 1.00 0.00 C ATOM 2064 CE2 TYR A 131 14.669 6.193 -4.233 1.00 0.00 C ATOM 2065 CZ TYR A 131 13.963 7.370 -4.107 1.00 0.00 C ATOM 2066 OH TYR A 131 14.635 8.569 -4.043 1.00 0.00 O ATOM 0 H TYR A 131 11.432 4.923 -2.022 1.00 0.00 H new ATOM 0 HA TYR A 131 10.826 2.220 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.466 2.915 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.938 3.772 -4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 131 10.834 6.137 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.547 4.071 -4.399 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.034 8.277 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 131 15.748 6.210 -4.281 1.00 0.00 H new ATOM 0 HH TYR A 131 15.600 8.407 -4.100 1.00 0.00 H new ATOM 2076 N LEU A 132 12.720 1.251 -1.802 1.00 0.00 N ATOM 2077 CA LEU A 132 13.860 0.607 -1.161 1.00 0.00 C ATOM 2078 C LEU A 132 14.719 -0.124 -2.187 1.00 0.00 C ATOM 2079 O LEU A 132 14.374 -0.189 -3.367 1.00 0.00 O ATOM 2080 CB LEU A 132 13.386 -0.374 -0.083 1.00 0.00 C ATOM 2081 CG LEU A 132 12.118 0.044 0.665 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.797 -0.953 1.768 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.276 1.444 1.239 1.00 0.00 C ATOM 0 H LEU A 132 11.877 0.678 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 132 14.465 1.383 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.211 -1.344 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.189 -0.508 0.642 1.00 0.00 H new ATOM 0 HG LEU A 132 11.288 0.054 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.892 -0.640 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.642 -1.940 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.627 -0.994 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.365 1.725 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.117 1.460 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.459 2.151 0.429 1.00 0.00 H new ATOM 2095 N GLY A 133 15.840 -0.673 -1.730 1.00 0.00 N ATOM 2096 CA GLY A 133 16.732 -1.392 -2.622 1.00 0.00 C ATOM 2097 C GLY A 133 16.051 -2.560 -3.306 1.00 0.00 C ATOM 2098 O GLY A 133 15.583 -2.438 -4.438 1.00 0.00 O ATOM 0 H GLY A 133 16.147 -0.633 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.116 -0.706 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.590 -1.756 -2.057 1.00 0.00 H new ATOM 2102 N ASP A 134 15.995 -3.696 -2.618 1.00 0.00 N ATOM 2103 CA ASP A 134 15.366 -4.892 -3.167 1.00 0.00 C ATOM 2104 C ASP A 134 15.019 -5.881 -2.060 1.00 0.00 C ATOM 2105 O ASP A 134 15.639 -5.881 -0.996 1.00 0.00 O ATOM 2106 CB ASP A 134 16.291 -5.556 -4.188 1.00 0.00 C ATOM 2107 CG ASP A 134 17.624 -5.957 -3.587 1.00 0.00 C ATOM 2108 OD1 ASP A 134 17.644 -6.887 -2.753 1.00 0.00 O ATOM 2109 OD2 ASP A 134 18.648 -5.341 -3.950 1.00 0.00 O1- ATOM 0 H ASP A 134 16.377 -3.813 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 134 14.443 -4.592 -3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.800 -6.439 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.462 -4.871 -5.019 1.00 0.00 H new ATOM 2114 N ALA A 135 14.023 -6.723 -2.316 1.00 0.00 N ATOM 2115 CA ALA A 135 13.593 -7.717 -1.341 1.00 0.00 C ATOM 2116 C ALA A 135 14.182 -9.088 -1.659 1.00 0.00 C ATOM 2117 O ALA A 135 14.229 -9.937 -0.744 1.00 0.00 O ATOM 2118 CB ALA A 135 12.074 -7.789 -1.298 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.591 -9.300 -2.819 1.00 0.00 O ATOM 0 H ALA A 135 13.499 -6.736 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 135 13.959 -7.412 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.766 -8.535 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.671 -6.816 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.695 -8.067 -2.281 1.00 0.00 H new